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The structure of the title compound, C
38H
56N
8S
2·2C
2H
6OS, has been determined by single-crystal diffractometry and is compared with the structures of other compounds containing the thiosemicarbazide group. The structure is stabilized by N—H
S hydrogen bonding, resulting in the formation of infinite chains parallel to the [010] axis. The thiosemicarbazone group has an
E configuration.
Supporting information
CCDC reference: 282225
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- Disorder in solvent or counterion
- R factor = 0.058
- wR factor = 0.174
- Data-to-parameter ratio = 15.7
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.76
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.21 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.76 Ratio
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for S44A
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for S55
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 6
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C19
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
12 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
3 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
4 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
1,4-Bis{[(2
Z)-2-(3-mesityl-3-methylcyclobutyl)-2-one
thiosemicarbazono]ethyl} piperazine dimethylsulfoxide disolvate
top
Crystal data top
C38H56N8S2·2C2H6OS | F(000) = 1824 |
Mr = 845.28 | Dx = 1.149 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2yn | Cell parameters from 38974 reflections |
a = 17.861 (11) Å | θ = 1.5–27.2° |
b = 13.386 (6) Å | µ = 0.24 mm−1 |
c = 20.451 (13) Å | T = 293 K |
β = 91.744 (5)° | Prism, yellow |
V = 4887 (5) Å3 | 0.34 × 0.30 × 0.21 mm |
Z = 4 | |
Data collection top
Stoe IPDS 2 diffractometer | 8599 independent reflections |
Radiation source: fine-focus sealed tube | 4458 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.057 |
Detector resolution: 6.67 pixels mm-1 | θmax = 25.0°, θmin = 1.5° |
ω scans | h = −21→21 |
Absorption correction: integration (X-RED32; Stoe & Cie, 2002) | k = −15→15 |
Tmin = 0.876, Tmax = 0.953 | l = −24→24 |
25636 measured reflections | |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.058 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.174 | H-atom parameters constrained |
S = 0.94 | w = 1/[σ2(Fo2) + (0.0946P)2] where P = (Fo2 + 2Fc2)/3 |
8599 reflections | (Δ/σ)max = 0.009 |
548 parameters | Δρmax = 0.80 e Å−3 |
33 restraints | Δρmin = −0.29 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
S1 | 0.28838 (6) | 0.45777 (8) | 0.09492 (7) | 0.0910 (4) | |
N1 | 0.42945 (18) | 0.5130 (2) | 0.07941 (16) | 0.0802 (9) | |
H1A | 0.4747 | 0.4988 | 0.0694 | 0.096* | |
H1B | 0.4179 | 0.5730 | 0.0901 | 0.096* | |
N2 | 0.40164 (17) | 0.3497 (2) | 0.06075 (15) | 0.0699 (8) | |
H2 | 0.3699 | 0.3023 | 0.0537 | 0.084* | |
N3 | 0.47759 (16) | 0.3319 (2) | 0.05408 (14) | 0.0665 (8) | |
N4 | 0.38578 (15) | 0.14697 (19) | 0.07573 (12) | 0.0555 (7) | |
C1 | 0.3772 (2) | 0.4417 (3) | 0.07830 (18) | 0.0664 (9) | |
C2 | 0.4971 (2) | 0.2426 (3) | 0.03972 (16) | 0.0625 (9) | |
C3 | 0.4445 (2) | 0.1565 (3) | 0.02739 (17) | 0.0675 (9) | |
H3A | 0.4209 | 0.1644 | −0.0156 | 0.081* | |
H3B | 0.4734 | 0.0951 | 0.0271 | 0.081* | |
C4 | 0.3342 (2) | 0.0661 (3) | 0.05897 (16) | 0.0624 (9) | |
H4A | 0.3611 | 0.0032 | 0.0589 | 0.075* | |
H4B | 0.3127 | 0.0770 | 0.0154 | 0.075* | |
C5 | 0.27279 (19) | 0.0611 (3) | 0.10715 (15) | 0.0589 (8) | |
H5A | 0.2440 | 0.1225 | 0.1052 | 0.071* | |
H5B | 0.2394 | 0.0062 | 0.0958 | 0.071* | |
C6 | 0.5778 (2) | 0.2233 (3) | 0.03113 (17) | 0.0649 (9) | |
H6 | 0.5860 | 0.2060 | −0.0147 | 0.078* | |
C7 | 0.6362 (2) | 0.2996 (3) | 0.05362 (19) | 0.0719 (10) | |
H7A | 0.6202 | 0.3419 | 0.0891 | 0.086* | |
H7B | 0.6558 | 0.3394 | 0.0183 | 0.086* | |
C8 | 0.6889 (2) | 0.2128 (3) | 0.07627 (17) | 0.0665 (9) | |
C9 | 0.6180 (2) | 0.1467 (3) | 0.07553 (17) | 0.0669 (9) | |
H9A | 0.6247 | 0.0821 | 0.0550 | 0.080* | |
H9B | 0.5960 | 0.1395 | 0.1181 | 0.080* | |
C10 | 0.7418 (2) | 0.1829 (4) | 0.0210 (2) | 0.0919 (13) | |
H10A | 0.7135 | 0.1769 | −0.0194 | 0.138* | |
H10B | 0.7652 | 0.1201 | 0.0315 | 0.138* | |
H10C | 0.7796 | 0.2332 | 0.0167 | 0.138* | |
C11 | 0.7330 (2) | 0.2226 (3) | 0.14064 (19) | 0.0724 (10) | |
C12 | 0.7637 (2) | 0.3152 (4) | 0.1604 (2) | 0.0876 (12) | |
C13 | 0.7995 (3) | 0.3217 (5) | 0.2210 (3) | 0.1138 (17) | |
H13 | 0.8191 | 0.3832 | 0.2340 | 0.137* | |
C14 | 0.8080 (3) | 0.2418 (6) | 0.2634 (3) | 0.1155 (19) | |
C15 | 0.7811 (3) | 0.1509 (5) | 0.2414 (3) | 0.1029 (16) | |
H15 | 0.7875 | 0.0952 | 0.2681 | 0.123* | |
C16 | 0.7448 (2) | 0.1390 (4) | 0.1807 (2) | 0.0825 (12) | |
C17 | 0.7237 (3) | 0.0337 (3) | 0.1614 (3) | 0.1063 (15) | |
H17A | 0.7315 | 0.0245 | 0.1156 | 0.159* | |
H17B | 0.6719 | 0.0224 | 0.1703 | 0.159* | |
H17C | 0.7543 | −0.0127 | 0.1861 | 0.159* | |
C18 | 0.7624 (3) | 0.4084 (4) | 0.1185 (3) | 0.1219 (18) | |
H18A | 0.7723 | 0.3908 | 0.0741 | 0.183* | |
H18B | 0.8000 | 0.4541 | 0.1346 | 0.183* | |
H18C | 0.7140 | 0.4393 | 0.1203 | 0.183* | |
C19 | 0.8471 (4) | 0.2510 (6) | 0.3309 (3) | 0.175 (3) | |
H19A | 0.8469 | 0.1873 | 0.3524 | 0.263* | |
H19B | 0.8211 | 0.2990 | 0.3567 | 0.263* | |
H19C | 0.8979 | 0.2725 | 0.3258 | 0.263* | |
S21 | 0.39990 (5) | −0.25809 (7) | 0.14668 (5) | 0.0707 (3) | |
N21 | 0.25586 (16) | −0.3095 (2) | 0.14621 (13) | 0.0622 (7) | |
H21A | 0.2097 | −0.2967 | 0.1537 | 0.075* | |
H21B | 0.2682 | −0.3669 | 0.1311 | 0.075* | |
N22 | 0.28530 (15) | −0.15314 (19) | 0.18139 (13) | 0.0618 (7) | |
H22 | 0.3175 | −0.1062 | 0.1883 | 0.074* | |
N23 | 0.20997 (15) | −0.1373 (2) | 0.19471 (13) | 0.0575 (7) | |
N24 | 0.30364 (14) | 0.04671 (18) | 0.17356 (12) | 0.0520 (6) | |
C21 | 0.30739 (19) | −0.2415 (2) | 0.15788 (15) | 0.0545 (8) | |
C22 | 0.19256 (18) | −0.0493 (2) | 0.21356 (15) | 0.0548 (8) | |
C23 | 0.24486 (19) | 0.0390 (2) | 0.22163 (16) | 0.0592 (8) | |
H23A | 0.2152 | 0.0997 | 0.2196 | 0.071* | |
H23B | 0.2685 | 0.0357 | 0.2649 | 0.071* | |
C24 | 0.35528 (19) | 0.1282 (2) | 0.19045 (15) | 0.0581 (8) | |
H24A | 0.3766 | 0.1178 | 0.2341 | 0.070* | |
H24B | 0.3284 | 0.1911 | 0.1901 | 0.070* | |
C25 | 0.41677 (18) | 0.1319 (3) | 0.14196 (15) | 0.0588 (8) | |
H25A | 0.4509 | 0.1861 | 0.1532 | 0.071* | |
H25B | 0.4449 | 0.0699 | 0.1438 | 0.071* | |
C26 | 0.11384 (19) | −0.0295 (3) | 0.23050 (18) | 0.0638 (9) | |
H26 | 0.1129 | 0.0159 | 0.2681 | 0.077* | |
C27 | 0.05893 (19) | −0.1146 (3) | 0.24037 (16) | 0.0643 (9) | |
H27A | 0.0500 | −0.1289 | 0.2860 | 0.077* | |
H27B | 0.0715 | −0.1752 | 0.2170 | 0.077* | |
C29 | 0.0602 (2) | 0.0092 (3) | 0.1761 (2) | 0.0742 (10) | |
H29A | 0.0731 | −0.0122 | 0.1326 | 0.089* | |
H29B | 0.0520 | 0.0809 | 0.1775 | 0.089* | |
C28 | −0.00416 (19) | −0.0529 (3) | 0.20620 (17) | 0.0663 (9) | |
C30 | −0.0474 (2) | 0.0099 (4) | 0.2558 (2) | 0.1062 (16) | |
H30A | −0.0125 | 0.0433 | 0.2850 | 0.159* | |
H30B | −0.0790 | −0.0331 | 0.2805 | 0.159* | |
H30C | −0.0777 | 0.0586 | 0.2328 | 0.159* | |
C31 | −0.05851 (18) | −0.1063 (3) | 0.15943 (17) | 0.0637 (9) | |
C32 | −0.0865 (2) | −0.2011 (3) | 0.17466 (17) | 0.0685 (10) | |
C33 | −0.1321 (2) | −0.2510 (3) | 0.12988 (19) | 0.0789 (11) | |
H33 | −0.1499 | −0.3139 | 0.1409 | 0.095* | |
C34 | −0.1524 (2) | −0.2122 (4) | 0.06968 (19) | 0.0811 (11) | |
C35 | −0.1286 (2) | −0.1176 (4) | 0.05677 (19) | 0.0825 (12) | |
H35 | −0.1431 | −0.0886 | 0.0170 | 0.099* | |
C36 | −0.0838 (2) | −0.0624 (3) | 0.1001 (2) | 0.0757 (11) | |
C37 | −0.0663 (3) | 0.0441 (3) | 0.0810 (3) | 0.1128 (17) | |
H37A | −0.0738 | 0.0874 | 0.1176 | 0.169* | |
H37B | −0.0989 | 0.0640 | 0.0451 | 0.169* | |
H37C | −0.0152 | 0.0485 | 0.0682 | 0.169* | |
C38 | −0.0703 (2) | −0.2533 (4) | 0.23932 (19) | 0.0948 (14) | |
H38A | −0.0683 | −0.2048 | 0.2739 | 0.142* | |
H38B | −0.0231 | −0.2874 | 0.2377 | 0.142* | |
H38C | −0.1093 | −0.3007 | 0.2473 | 0.142* | |
C39 | −0.1993 (3) | −0.2730 (4) | 0.0210 (2) | 0.1232 (19) | |
H39A | −0.1776 | −0.3382 | 0.0165 | 0.185* | |
H39B | −0.2006 | −0.2399 | −0.0207 | 0.185* | |
H39C | −0.2493 | −0.2793 | 0.0363 | 0.185* | |
S44A | 0.0126 (2) | 0.3200 (2) | 0.16552 (15) | 0.1130 (11) | 0.821 (9) |
O44A | −0.0107 (5) | 0.3603 (8) | 0.1014 (3) | 0.170 (3) | 0.821 (9) |
C44A | 0.0054 (5) | 0.4236 (6) | 0.2215 (4) | 0.125 (3) | 0.821 (9) |
H44A | −0.0464 | 0.4396 | 0.2270 | 0.187* | 0.821 (9) |
H44B | 0.0308 | 0.4806 | 0.2042 | 0.187* | 0.821 (9) |
H44C | 0.0281 | 0.4057 | 0.2630 | 0.187* | 0.821 (9) |
C45A | 0.1122 (5) | 0.3131 (8) | 0.1665 (5) | 0.141 (3) | 0.821 (9) |
H45A | 0.1275 | 0.2656 | 0.1344 | 0.211* | 0.821 (9) |
H45B | 0.1303 | 0.2924 | 0.2090 | 0.211* | 0.821 (9) |
H45C | 0.1324 | 0.3776 | 0.1565 | 0.211* | 0.821 (9) |
S44B | 0.0500 (13) | 0.3003 (12) | 0.1380 (10) | 0.151 (4) | 0.179 (9) |
O44B | 0.023 (3) | 0.347 (4) | 0.0770 (13) | 0.169 (10) | 0.179 (9) |
C44B | −0.005 (2) | 0.384 (3) | 0.188 (2) | 0.126 (9) | 0.179 (9) |
H44D | −0.0569 | 0.3642 | 0.1848 | 0.189* | 0.179 (9) |
H44E | −0.0002 | 0.4510 | 0.1723 | 0.189* | 0.179 (9) |
H44F | 0.0124 | 0.3799 | 0.2325 | 0.189* | 0.179 (9) |
C45B | 0.119 (2) | 0.379 (3) | 0.175 (2) | 0.147 (11) | 0.179 (9) |
H45D | 0.1674 | 0.3624 | 0.1582 | 0.220* | 0.179 (9) |
H45E | 0.1200 | 0.3703 | 0.2212 | 0.220* | 0.179 (9) |
H45F | 0.1078 | 0.4476 | 0.1643 | 0.220* | 0.179 (9) |
S55 | 0.04819 (6) | 0.62514 (9) | 0.08527 (5) | 0.0848 (3) | |
O55 | 0.09531 (17) | 0.6292 (2) | 0.14704 (12) | 0.0981 (9) | |
C55 | 0.0575 (3) | 0.7424 (3) | 0.0477 (2) | 0.1013 (14) | |
H55A | 0.0313 | 0.7918 | 0.0722 | 0.152* | |
H55B | 0.0367 | 0.7396 | 0.0039 | 0.152* | |
H55C | 0.1095 | 0.7599 | 0.0465 | 0.152* | |
C56 | 0.1000 (3) | 0.5530 (4) | 0.0302 (2) | 0.1084 (16) | |
H56A | 0.1012 | 0.4847 | 0.0445 | 0.163* | |
H56B | 0.1502 | 0.5783 | 0.0289 | 0.163* | |
H56C | 0.0768 | 0.5568 | −0.0127 | 0.163* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
S1 | 0.0648 (6) | 0.0768 (7) | 0.1310 (10) | 0.0079 (5) | −0.0017 (6) | −0.0288 (6) |
N1 | 0.072 (2) | 0.0575 (18) | 0.112 (3) | 0.0049 (17) | 0.0081 (18) | −0.0017 (17) |
N2 | 0.066 (2) | 0.0538 (17) | 0.090 (2) | 0.0037 (15) | 0.0055 (16) | −0.0096 (15) |
N3 | 0.0575 (18) | 0.0665 (18) | 0.0761 (19) | 0.0048 (15) | 0.0112 (15) | −0.0011 (15) |
N4 | 0.0598 (17) | 0.0545 (15) | 0.0522 (15) | 0.0018 (13) | 0.0024 (13) | −0.0105 (12) |
C1 | 0.069 (2) | 0.056 (2) | 0.074 (2) | 0.0032 (19) | −0.0033 (18) | −0.0029 (17) |
C2 | 0.065 (2) | 0.063 (2) | 0.060 (2) | 0.0063 (19) | 0.0141 (16) | −0.0030 (17) |
C3 | 0.070 (2) | 0.067 (2) | 0.066 (2) | 0.0001 (19) | 0.0141 (18) | −0.0158 (17) |
C4 | 0.068 (2) | 0.062 (2) | 0.0560 (19) | −0.0032 (18) | −0.0035 (16) | −0.0136 (16) |
C5 | 0.061 (2) | 0.0581 (19) | 0.0573 (19) | −0.0025 (16) | −0.0085 (16) | −0.0104 (15) |
C6 | 0.069 (2) | 0.070 (2) | 0.0575 (19) | 0.0043 (19) | 0.0200 (17) | −0.0047 (17) |
C7 | 0.069 (2) | 0.069 (2) | 0.080 (2) | 0.003 (2) | 0.0207 (19) | 0.0081 (19) |
C8 | 0.060 (2) | 0.073 (2) | 0.068 (2) | 0.0064 (19) | 0.0222 (18) | −0.0018 (18) |
C9 | 0.069 (2) | 0.064 (2) | 0.068 (2) | 0.0081 (19) | 0.0196 (18) | −0.0083 (17) |
C10 | 0.079 (3) | 0.116 (3) | 0.083 (3) | 0.012 (3) | 0.033 (2) | −0.003 (2) |
C11 | 0.057 (2) | 0.088 (3) | 0.073 (2) | 0.012 (2) | 0.0199 (19) | −0.003 (2) |
C12 | 0.067 (3) | 0.104 (4) | 0.092 (3) | 0.007 (2) | 0.008 (2) | −0.015 (3) |
C13 | 0.088 (4) | 0.127 (5) | 0.127 (5) | 0.008 (3) | 0.006 (3) | −0.030 (4) |
C14 | 0.075 (3) | 0.184 (6) | 0.087 (3) | 0.029 (4) | 0.002 (3) | −0.025 (4) |
C15 | 0.073 (3) | 0.140 (5) | 0.096 (4) | 0.036 (3) | 0.015 (3) | 0.013 (3) |
C16 | 0.059 (2) | 0.111 (4) | 0.078 (3) | 0.020 (2) | 0.015 (2) | 0.007 (3) |
C17 | 0.100 (4) | 0.090 (3) | 0.129 (4) | 0.019 (3) | 0.013 (3) | 0.029 (3) |
C18 | 0.123 (4) | 0.097 (4) | 0.146 (5) | −0.030 (3) | −0.001 (4) | −0.003 (3) |
C19 | 0.141 (6) | 0.264 (9) | 0.119 (5) | 0.047 (6) | −0.027 (4) | −0.031 (5) |
S21 | 0.0622 (6) | 0.0707 (6) | 0.0792 (6) | 0.0075 (5) | 0.0041 (5) | −0.0112 (5) |
N21 | 0.0652 (19) | 0.0483 (15) | 0.0735 (18) | 0.0022 (15) | 0.0062 (14) | −0.0020 (13) |
N22 | 0.0532 (17) | 0.0505 (16) | 0.0817 (19) | 0.0018 (13) | 0.0026 (14) | −0.0079 (14) |
N23 | 0.0490 (16) | 0.0542 (16) | 0.0694 (17) | 0.0021 (13) | 0.0034 (13) | −0.0072 (13) |
N24 | 0.0560 (16) | 0.0496 (15) | 0.0500 (14) | −0.0032 (12) | −0.0046 (12) | −0.0075 (11) |
C21 | 0.062 (2) | 0.0478 (18) | 0.0537 (18) | 0.0058 (17) | 0.0010 (15) | 0.0065 (15) |
C22 | 0.055 (2) | 0.056 (2) | 0.0540 (18) | 0.0019 (16) | −0.0017 (15) | −0.0021 (15) |
C23 | 0.062 (2) | 0.0547 (19) | 0.0604 (19) | −0.0002 (17) | 0.0016 (16) | −0.0118 (15) |
C24 | 0.065 (2) | 0.0575 (19) | 0.0521 (18) | −0.0080 (17) | −0.0024 (16) | −0.0091 (15) |
C25 | 0.055 (2) | 0.0579 (19) | 0.063 (2) | −0.0045 (16) | −0.0041 (16) | −0.0108 (16) |
C26 | 0.058 (2) | 0.062 (2) | 0.072 (2) | 0.0035 (18) | 0.0035 (17) | −0.0159 (17) |
C27 | 0.057 (2) | 0.078 (2) | 0.058 (2) | 0.0032 (19) | 0.0003 (16) | −0.0007 (17) |
C29 | 0.065 (2) | 0.054 (2) | 0.103 (3) | 0.0083 (18) | −0.006 (2) | 0.001 (2) |
C28 | 0.051 (2) | 0.075 (2) | 0.073 (2) | 0.0094 (18) | 0.0015 (17) | −0.0071 (18) |
C30 | 0.070 (3) | 0.128 (4) | 0.121 (4) | 0.025 (3) | 0.005 (3) | −0.046 (3) |
C31 | 0.0444 (19) | 0.078 (2) | 0.068 (2) | 0.0097 (18) | 0.0024 (16) | 0.0056 (19) |
C32 | 0.053 (2) | 0.095 (3) | 0.058 (2) | −0.001 (2) | 0.0034 (16) | 0.009 (2) |
C33 | 0.067 (2) | 0.089 (3) | 0.081 (3) | −0.009 (2) | −0.006 (2) | 0.010 (2) |
C34 | 0.072 (3) | 0.099 (3) | 0.072 (3) | 0.006 (2) | −0.008 (2) | −0.005 (2) |
C35 | 0.073 (3) | 0.105 (3) | 0.069 (2) | 0.019 (3) | −0.012 (2) | 0.013 (2) |
C36 | 0.055 (2) | 0.083 (3) | 0.089 (3) | 0.015 (2) | −0.003 (2) | 0.011 (2) |
C37 | 0.099 (4) | 0.092 (3) | 0.145 (4) | 0.014 (3) | −0.034 (3) | 0.038 (3) |
C38 | 0.077 (3) | 0.130 (4) | 0.077 (3) | −0.031 (3) | −0.006 (2) | 0.030 (3) |
C39 | 0.134 (5) | 0.136 (4) | 0.096 (3) | −0.007 (4) | −0.048 (3) | −0.014 (3) |
S44A | 0.135 (2) | 0.1055 (16) | 0.0966 (17) | −0.0188 (15) | −0.0274 (14) | 0.0090 (12) |
O44A | 0.214 (9) | 0.199 (6) | 0.092 (4) | 0.004 (6) | −0.062 (5) | 0.017 (5) |
C44A | 0.162 (7) | 0.108 (6) | 0.103 (5) | −0.006 (5) | −0.007 (5) | −0.003 (4) |
C45A | 0.132 (7) | 0.184 (10) | 0.106 (5) | 0.026 (8) | −0.022 (5) | 0.000 (7) |
S44B | 0.167 (9) | 0.143 (7) | 0.140 (8) | −0.021 (7) | −0.008 (8) | 0.019 (7) |
O44B | 0.23 (2) | 0.198 (17) | 0.080 (15) | −0.012 (18) | −0.043 (16) | 0.008 (16) |
C44B | 0.165 (18) | 0.086 (17) | 0.127 (19) | −0.001 (16) | −0.001 (18) | −0.032 (15) |
C45B | 0.155 (18) | 0.17 (2) | 0.114 (16) | −0.01 (2) | −0.014 (15) | 0.00 (2) |
S55 | 0.0773 (7) | 0.1003 (8) | 0.0765 (7) | −0.0039 (6) | 0.0000 (5) | 0.0025 (6) |
O55 | 0.098 (2) | 0.136 (3) | 0.0590 (15) | −0.0207 (19) | −0.0130 (14) | 0.0075 (16) |
C55 | 0.107 (4) | 0.102 (3) | 0.096 (3) | 0.010 (3) | 0.015 (3) | 0.012 (3) |
C56 | 0.115 (4) | 0.125 (4) | 0.085 (3) | 0.033 (3) | −0.002 (3) | 0.008 (3) |
Geometric parameters (Å, º) top
S1—C1 | 1.647 (4) | N22—C21 | 1.340 (4) |
N1—C1 | 1.334 (5) | N22—N23 | 1.397 (4) |
N1—H1A | 0.8600 | N22—H22 | 0.8600 |
N1—H1B | 0.8600 | N23—C22 | 1.280 (4) |
N2—C1 | 1.359 (4) | N24—C24 | 1.463 (4) |
N2—N3 | 1.388 (4) | N24—C23 | 1.464 (4) |
N2—H2 | 0.8600 | C22—C26 | 1.482 (5) |
N3—C2 | 1.281 (4) | C22—C23 | 1.513 (5) |
N4—C4 | 1.456 (4) | C23—H23A | 0.9700 |
N4—C25 | 1.462 (4) | C23—H23B | 0.9700 |
N4—C3 | 1.469 (4) | C24—C25 | 1.503 (4) |
C2—C6 | 1.480 (5) | C24—H24A | 0.9700 |
C2—C3 | 1.503 (5) | C24—H24B | 0.9700 |
C3—H3A | 0.9700 | C25—H25A | 0.9700 |
C3—H3B | 0.9700 | C25—H25B | 0.9700 |
C4—C5 | 1.497 (5) | C26—C27 | 1.521 (5) |
C4—H4A | 0.9700 | C26—C29 | 1.536 (5) |
C4—H4B | 0.9700 | C26—H26 | 0.9800 |
C5—N24 | 1.463 (4) | C27—C28 | 1.547 (5) |
C5—H5A | 0.9700 | C27—H27A | 0.9700 |
C5—H5B | 0.9700 | C27—H27B | 0.9700 |
C6—C7 | 1.521 (5) | C29—C28 | 1.560 (5) |
C6—C9 | 1.533 (5) | C29—H29A | 0.9700 |
C6—H6 | 0.9800 | C29—H29B | 0.9700 |
C7—C8 | 1.557 (5) | C28—C31 | 1.520 (5) |
C7—H7A | 0.9700 | C28—C30 | 1.543 (5) |
C7—H7B | 0.9700 | C30—H30A | 0.9600 |
C8—C11 | 1.519 (5) | C30—H30B | 0.9600 |
C8—C9 | 1.544 (5) | C30—H30C | 0.9600 |
C8—C10 | 1.548 (5) | C31—C32 | 1.402 (5) |
C9—H9A | 0.9700 | C31—C36 | 1.410 (5) |
C9—H9B | 0.9700 | C32—C33 | 1.380 (5) |
C10—H10A | 0.9600 | C32—C38 | 1.516 (5) |
C10—H10B | 0.9600 | C33—C34 | 1.375 (5) |
C10—H10C | 0.9600 | C33—H33 | 0.9300 |
C11—C16 | 1.400 (6) | C34—C35 | 1.365 (6) |
C11—C12 | 1.410 (6) | C34—C39 | 1.518 (6) |
C12—C13 | 1.380 (7) | C35—C36 | 1.388 (6) |
C12—C18 | 1.512 (7) | C35—H35 | 0.9300 |
C13—C14 | 1.383 (8) | C36—C37 | 1.514 (6) |
C13—H13 | 0.9300 | C37—H37A | 0.9600 |
C14—C15 | 1.379 (8) | C37—H37B | 0.9600 |
C14—C19 | 1.533 (8) | C37—H37C | 0.9600 |
C15—C16 | 1.391 (7) | C38—H38A | 0.9600 |
C15—H15 | 0.9300 | C38—H38B | 0.9600 |
C16—C17 | 1.508 (6) | C38—H38C | 0.9600 |
C17—H17A | 0.9600 | C39—H39A | 0.9600 |
C17—H17B | 0.9600 | C39—H39B | 0.9600 |
C17—H17C | 0.9600 | C39—H39C | 0.9600 |
C18—H18A | 0.9600 | S55—O55 | 1.497 (3) |
C18—H18B | 0.9600 | S55—C55 | 1.758 (5) |
C18—H18C | 0.9600 | S55—C56 | 1.766 (5) |
C19—H19A | 0.9600 | C55—H55A | 0.9600 |
C19—H19B | 0.9600 | C55—H55B | 0.9600 |
C19—H19C | 0.9600 | C55—H55C | 0.9600 |
S21—C21 | 1.690 (4) | C56—H56A | 0.9600 |
N21—C21 | 1.312 (4) | C56—H56B | 0.9600 |
N21—H21A | 0.8600 | C56—H56C | 0.9600 |
N21—H21B | 0.8600 | | |
| | | |
C1—N1—H1A | 120.0 | C24—N24—C23 | 110.7 (2) |
C1—N1—H1B | 120.0 | C5—N24—C23 | 112.0 (3) |
H1A—N1—H1B | 120.0 | N21—C21—N22 | 117.7 (3) |
C1—N2—N3 | 120.3 (3) | N21—C21—S21 | 124.6 (3) |
C1—N2—H2 | 119.9 | N22—C21—S21 | 117.7 (3) |
N3—N2—H2 | 119.9 | N23—C22—C26 | 118.5 (3) |
C2—N3—N2 | 117.1 (3) | N23—C22—C23 | 126.6 (3) |
C4—N4—C25 | 109.6 (3) | C26—C22—C23 | 114.9 (3) |
C4—N4—C3 | 111.5 (2) | N24—C23—C22 | 115.8 (3) |
C25—N4—C3 | 112.2 (3) | N24—C23—H23A | 108.3 |
N1—C1—N2 | 115.0 (3) | C22—C23—H23A | 108.3 |
N1—C1—S1 | 125.5 (3) | N24—C23—H23B | 108.3 |
N2—C1—S1 | 119.5 (3) | C22—C23—H23B | 108.3 |
N3—C2—C6 | 117.5 (3) | H23A—C23—H23B | 107.4 |
N3—C2—C3 | 125.5 (3) | N24—C24—C25 | 109.7 (2) |
C6—C2—C3 | 116.9 (3) | N24—C24—H24A | 109.7 |
N4—C3—C2 | 114.2 (3) | C25—C24—H24A | 109.7 |
N4—C3—H3A | 108.7 | N24—C24—H24B | 109.7 |
C2—C3—H3A | 108.7 | C25—C24—H24B | 109.7 |
N4—C3—H3B | 108.7 | H24A—C24—H24B | 108.2 |
C2—C3—H3B | 108.7 | N4—C25—C24 | 110.6 (3) |
H3A—C3—H3B | 107.6 | N4—C25—H25A | 109.5 |
N4—C4—C5 | 110.5 (3) | C24—C25—H25A | 109.5 |
N4—C4—H4A | 109.6 | N4—C25—H25B | 109.5 |
C5—C4—H4A | 109.6 | C24—C25—H25B | 109.5 |
N4—C4—H4B | 109.6 | H25A—C25—H25B | 108.1 |
C5—C4—H4B | 109.6 | C22—C26—C27 | 121.1 (3) |
H4A—C4—H4B | 108.1 | C22—C26—C29 | 117.8 (3) |
N24—C5—C4 | 110.8 (3) | C27—C26—C29 | 87.6 (3) |
N24—C5—H5A | 109.5 | C22—C26—H26 | 109.5 |
C4—C5—H5A | 109.5 | C27—C26—H26 | 109.5 |
N24—C5—H5B | 109.5 | C29—C26—H26 | 109.5 |
C4—C5—H5B | 109.5 | C26—C27—C28 | 90.2 (3) |
H5A—C5—H5B | 108.1 | C26—C27—H27A | 113.6 |
C2—C6—C7 | 120.6 (3) | C28—C27—H27A | 113.6 |
C2—C6—C9 | 119.1 (3) | C26—C27—H27B | 113.6 |
C7—C6—C9 | 88.0 (3) | C28—C27—H27B | 113.6 |
C2—C6—H6 | 109.1 | H27A—C27—H27B | 110.9 |
C7—C6—H6 | 109.1 | C26—C29—C28 | 89.2 (3) |
C9—C6—H6 | 109.1 | C26—C29—H29A | 113.8 |
C6—C7—C8 | 89.5 (3) | C28—C29—H29A | 113.8 |
C6—C7—H7A | 113.7 | C26—C29—H29B | 113.8 |
C8—C7—H7A | 113.7 | C28—C29—H29B | 113.8 |
C6—C7—H7B | 113.7 | H29A—C29—H29B | 111.0 |
C8—C7—H7B | 113.7 | C31—C28—C30 | 110.3 (3) |
H7A—C7—H7B | 111.0 | C31—C28—C27 | 118.4 (3) |
C11—C8—C9 | 117.5 (3) | C30—C28—C27 | 111.5 (3) |
C11—C8—C10 | 110.1 (3) | C31—C28—C29 | 117.8 (3) |
C9—C8—C10 | 111.3 (3) | C30—C28—C29 | 111.0 (3) |
C11—C8—C7 | 119.0 (3) | C27—C28—C29 | 85.9 (3) |
C9—C8—C7 | 86.4 (3) | C28—C30—H30A | 109.5 |
C10—C8—C7 | 110.7 (3) | C28—C30—H30B | 109.5 |
C6—C9—C8 | 89.5 (3) | H30A—C30—H30B | 109.5 |
C6—C9—H9A | 113.7 | C28—C30—H30C | 109.5 |
C8—C9—H9A | 113.7 | H30A—C30—H30C | 109.5 |
C6—C9—H9B | 113.7 | H30B—C30—H30C | 109.5 |
C8—C9—H9B | 113.7 | C32—C31—C36 | 117.5 (3) |
H9A—C9—H9B | 111.0 | C32—C31—C28 | 120.7 (3) |
C8—C10—H10A | 109.5 | C36—C31—C28 | 121.8 (3) |
C8—C10—H10B | 109.5 | C33—C32—C31 | 119.9 (3) |
H10A—C10—H10B | 109.5 | C33—C32—C38 | 116.7 (4) |
C8—C10—H10C | 109.5 | C31—C32—C38 | 123.5 (4) |
H10A—C10—H10C | 109.5 | C34—C33—C32 | 123.1 (4) |
H10B—C10—H10C | 109.5 | C34—C33—H33 | 118.5 |
C16—C11—C12 | 119.0 (4) | C32—C33—H33 | 118.5 |
C16—C11—C8 | 120.2 (4) | C35—C34—C33 | 116.7 (4) |
C12—C11—C8 | 120.8 (4) | C35—C34—C39 | 122.6 (4) |
C13—C12—C11 | 118.6 (5) | C33—C34—C39 | 120.7 (4) |
C13—C12—C18 | 117.1 (5) | C34—C35—C36 | 123.2 (4) |
C11—C12—C18 | 124.3 (4) | C34—C35—H35 | 118.4 |
C12—C13—C14 | 123.6 (6) | C36—C35—H35 | 118.4 |
C12—C13—H13 | 118.2 | C35—C36—C31 | 119.4 (4) |
C14—C13—H13 | 118.2 | C35—C36—C37 | 117.1 (4) |
C15—C14—C13 | 116.6 (5) | C31—C36—C37 | 123.4 (4) |
C15—C14—C19 | 120.7 (7) | C36—C37—H37A | 109.5 |
C13—C14—C19 | 122.7 (7) | C36—C37—H37B | 109.5 |
C14—C15—C16 | 122.7 (5) | H37A—C37—H37B | 109.5 |
C14—C15—H15 | 118.6 | C36—C37—H37C | 109.5 |
C16—C15—H15 | 118.6 | H37A—C37—H37C | 109.5 |
C15—C16—C11 | 119.3 (5) | H37B—C37—H37C | 109.5 |
C15—C16—C17 | 116.5 (5) | C32—C38—H38A | 109.5 |
C11—C16—C17 | 124.2 (4) | C32—C38—H38B | 109.5 |
C16—C17—H17A | 109.5 | H38A—C38—H38B | 109.5 |
C16—C17—H17B | 109.5 | C32—C38—H38C | 109.5 |
H17A—C17—H17B | 109.5 | H38A—C38—H38C | 109.5 |
C16—C17—H17C | 109.5 | H38B—C38—H38C | 109.5 |
H17A—C17—H17C | 109.5 | C34—C39—H39A | 109.5 |
H17B—C17—H17C | 109.5 | C34—C39—H39B | 109.5 |
C12—C18—H18A | 109.5 | H39A—C39—H39B | 109.5 |
C12—C18—H18B | 109.5 | C34—C39—H39C | 109.5 |
H18A—C18—H18B | 109.5 | H39A—C39—H39C | 109.5 |
C12—C18—H18C | 109.5 | H39B—C39—H39C | 109.5 |
H18A—C18—H18C | 109.5 | O55—S55—C55 | 106.2 (2) |
H18B—C18—H18C | 109.5 | O55—S55—C56 | 105.4 (2) |
C14—C19—H19A | 109.5 | C55—S55—C56 | 98.7 (2) |
C14—C19—H19B | 109.5 | S55—C55—H55A | 109.5 |
H19A—C19—H19B | 109.5 | S55—C55—H55B | 109.5 |
C14—C19—H19C | 109.5 | H55A—C55—H55B | 109.5 |
H19A—C19—H19C | 109.5 | S55—C55—H55C | 109.5 |
H19B—C19—H19C | 109.5 | H55A—C55—H55C | 109.5 |
C21—N21—H21A | 120.0 | H55B—C55—H55C | 109.5 |
C21—N21—H21B | 120.0 | S55—C56—H56A | 109.5 |
H21A—N21—H21B | 120.0 | S55—C56—H56B | 109.5 |
C21—N22—N23 | 120.0 (3) | H56A—C56—H56B | 109.5 |
C21—N22—H22 | 120.0 | S55—C56—H56C | 109.5 |
N23—N22—H22 | 120.0 | H56A—C56—H56C | 109.5 |
C22—N23—N22 | 116.3 (3) | H56B—C56—H56C | 109.5 |
C24—N24—C5 | 109.7 (2) | | |
| | | |
C1—N2—N3—C2 | 177.6 (3) | C4—C5—N24—C23 | −178.6 (3) |
N3—N2—C1—N1 | 8.6 (5) | N23—N22—C21—N21 | 2.2 (4) |
N3—N2—C1—S1 | −172.4 (3) | N23—N22—C21—S21 | −176.7 (2) |
N2—N3—C2—C6 | 178.7 (3) | N22—N23—C22—C26 | −178.0 (3) |
N2—N3—C2—C3 | 2.1 (5) | N22—N23—C22—C23 | 1.2 (5) |
C4—N4—C3—C2 | 176.6 (3) | C24—N24—C23—C22 | −173.8 (3) |
C25—N4—C3—C2 | −60.1 (4) | C5—N24—C23—C22 | 63.3 (4) |
N3—C2—C3—N4 | −46.1 (5) | N23—C22—C23—N24 | 36.2 (5) |
C6—C2—C3—N4 | 137.3 (3) | C26—C22—C23—N24 | −144.6 (3) |
C25—N4—C4—C5 | 57.9 (3) | C5—N24—C24—C25 | −58.1 (3) |
C3—N4—C4—C5 | −177.3 (3) | C23—N24—C24—C25 | 177.7 (3) |
N4—C4—C5—N24 | −58.1 (4) | C4—N4—C25—C24 | −58.7 (3) |
N3—C2—C6—C7 | 13.7 (5) | C3—N4—C25—C24 | 176.9 (3) |
C3—C2—C6—C7 | −169.4 (3) | N24—C24—C25—N4 | 59.1 (4) |
N3—C2—C6—C9 | 120.1 (4) | N23—C22—C26—C27 | 13.7 (5) |
C3—C2—C6—C9 | −62.9 (4) | C23—C22—C26—C27 | −165.6 (3) |
C2—C6—C7—C8 | 142.3 (3) | N23—C22—C26—C29 | −91.6 (4) |
C9—C6—C7—C8 | 19.3 (2) | C23—C22—C26—C29 | 89.2 (4) |
C6—C7—C8—C11 | −138.8 (3) | C22—C26—C27—C28 | −141.7 (3) |
C6—C7—C8—C9 | −19.2 (2) | C29—C26—C27—C28 | −20.3 (3) |
C6—C7—C8—C10 | 92.3 (3) | C22—C26—C29—C28 | 144.3 (3) |
C2—C6—C9—C8 | −143.7 (3) | C27—C26—C29—C28 | 20.1 (3) |
C7—C6—C9—C8 | −19.5 (2) | C26—C27—C28—C31 | 139.5 (3) |
C11—C8—C9—C6 | 140.0 (3) | C26—C27—C28—C30 | −91.0 (3) |
C10—C8—C9—C6 | −91.8 (3) | C26—C27—C28—C29 | 20.0 (3) |
C7—C8—C9—C6 | 19.0 (2) | C26—C29—C28—C31 | −139.9 (3) |
C9—C8—C11—C16 | 41.4 (4) | C26—C29—C28—C30 | 91.7 (3) |
C10—C8—C11—C16 | −87.4 (4) | C26—C29—C28—C27 | −19.8 (2) |
C7—C8—C11—C16 | 143.4 (3) | C30—C28—C31—C32 | −88.7 (4) |
C9—C8—C11—C12 | −139.8 (3) | C27—C28—C31—C32 | 41.4 (4) |
C10—C8—C11—C12 | 91.4 (4) | C29—C28—C31—C32 | 142.6 (3) |
C7—C8—C11—C12 | −37.9 (5) | C30—C28—C31—C36 | 90.2 (4) |
C16—C11—C12—C13 | −4.9 (6) | C27—C28—C31—C36 | −139.7 (3) |
C8—C11—C12—C13 | 176.3 (4) | C29—C28—C31—C36 | −38.6 (5) |
C16—C11—C12—C18 | 173.0 (4) | C36—C31—C32—C33 | 5.1 (5) |
C8—C11—C12—C18 | −5.8 (6) | C28—C31—C32—C33 | −176.0 (3) |
C11—C12—C13—C14 | 0.9 (7) | C36—C31—C32—C38 | −174.0 (4) |
C18—C12—C13—C14 | −177.2 (5) | C28—C31—C32—C38 | 4.9 (5) |
C12—C13—C14—C15 | 2.7 (8) | C31—C32—C33—C34 | −0.2 (6) |
C12—C13—C14—C19 | −179.2 (5) | C38—C32—C33—C34 | 179.0 (4) |
C13—C14—C15—C16 | −2.3 (7) | C32—C33—C34—C35 | −3.6 (6) |
C19—C14—C15—C16 | 179.6 (4) | C32—C33—C34—C39 | 176.7 (4) |
C14—C15—C16—C11 | −1.7 (6) | C33—C34—C35—C36 | 2.4 (6) |
C14—C15—C16—C17 | 175.7 (4) | C39—C34—C35—C36 | −178.0 (4) |
C12—C11—C16—C15 | 5.3 (5) | C34—C35—C36—C31 | 2.6 (6) |
C8—C11—C16—C15 | −175.9 (3) | C34—C35—C36—C37 | −175.9 (4) |
C12—C11—C16—C17 | −171.8 (4) | C32—C31—C36—C35 | −6.3 (5) |
C8—C11—C16—C17 | 6.9 (5) | C28—C31—C36—C35 | 174.8 (3) |
C21—N22—N23—C22 | −176.2 (3) | C32—C31—C36—C37 | 172.1 (4) |
C4—C5—N24—C24 | 58.0 (3) | C28—C31—C36—C37 | −6.8 (6) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···N3 | 0.86 | 2.26 | 2.629 (4) | 106 |
N1—H1B···S21i | 0.86 | 2.56 | 3.407 (4) | 167 |
N2—H2···N4 | 0.86 | 2.14 | 2.747 (4) | 127 |
N21—H21A···O55ii | 0.86 | 2.27 | 2.983 (5) | 140 |
N21—H21A···N23 | 0.86 | 2.29 | 2.649 (4) | 105 |
N21—H21B···S1ii | 0.86 | 2.49 | 3.344 (4) | 172 |
N22—H22···N24 | 0.86 | 2.08 | 2.701 (4) | 128 |
C6—H6···S21iii | 0.98 | 2.81 | 3.700 (4) | 152 |
C24—H24A···O55iv | 0.97 | 2.47 | 3.413 (5) | 163 |
C44A—H44B···O55 | 0.96 | 2.59 | 3.553 (9) | 175 |
C55—H55B···O44Av | 0.96 | 2.57 | 3.425 (9) | 149 |
C56—H56C···O44Av | 0.96 | 2.41 | 3.297 (9) | 154 |
Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z; (iii) −x+1, −y, −z; (iv) −x+1/2, y−1/2, −z+1/2; (v) −x, −y+1, −z. |
Comparative geometrical parameters (Å, °) in the thsc moiety topCompound | N1-C1 | C1-S1 | N2-C1 | N2-N3 | S1-C1-N1 | Ref. |
I | 1.321 (5) | 1.669 (4) | 1.352 (5) | 1.390 (4) | 125.3 (3) | (a) |
II | 1.325 (3) | 1.688 (2) | 1.343 (3) | 1.374 (2) | 123.1 (2) | (b) |
III | 1.353 (3) | 1.689 (2) | 1.353 (3) | 1.373 (2) | 122.6 (2) | (c) |
IV | 1.342 (2) | 1.696 (2) | 1.342 (2) | 1.342 (2) | 122.5 (1) | (d) |
V | 1.319 (3) | 1.674 (2) | 1.352 (2) | 1.373 (2) | 123.3 (2) | (e) |
VI | 1.319 (3) | 1.673 (2) | 1.350 (2) | 1.382 (2) | 124.8 (2) | (f) |
Notes: (a) This work (averaged values), (I), C42H68N8O2S4,
1,4-bis{[(2Z)-2-(3-mesityl-3-methylcyclobutyl)-2-one thiosemicarbazone]ethyl}
piperazine dimethyl sulfoxide disolvate; (b) Kokila et al.,
1995), (II), C11H17N3O4S, 3,4,5-trimethoxybenzaldehyde
thiosemicarbazone monohydrate; (c) Zhu et al., 1999), (III),
C22H32N6O4S4, 2,2'-ethylenedioxydibenzaldehyde
bis(thiosemicarbazone) bis(dimethyl sulfoxide); (d) Moers et al.,
1999), (IV), C16H34N6O4S2,
1,4,7,1O-tetraoxacyclododecane-acetone thiosemicarbazone (1/2); (e) Wu et
al., 2000), (V), C16H26N8O2S2, terephthaldehyde
thiosemicarbazone bis-N,N-dimethylformamide; (f) Sampath et al.,
2003), (VI), C22H28N4S,
1-N-methyl-t-3-isopropyl-r-2,c-6-diphenylpiperidone thiosemicarbazone. |
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