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The structure of the title compound, [RuCl(C23H21N5)]ClO4·CH4O, has been determined at 113 K, revealing a mononuclear six-coordinate structure with a 0.263 (2) Å displacement of the RuII atom from the N4 equatorial plane.
Supporting information
CCDC reference: 263526
Key indicators
- Single-crystal X-ray study
- T = 113 K
- Mean (C-C) = 0.006 Å
- R factor = 0.044
- wR factor = 0.119
- Data-to-parameter ratio = 17.2
checkCIF/PLATON results
No syntax errors found
Alert level B
ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
Tmin and Tmax reported: 0.444 0.841
Tmin' and Tmax expected: 0.652 0.841
RR' = 0.681
Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.67
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl2
0 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
4 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 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
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: PROCESS-AUTO (Rigaku Corporation, 1998); cell refinement: PROCESS-AUTO; data reduction: TEXSAN Version 1.11 (Molecular Structure Corporation & Rigaku Corporation,
2000); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN Version 1.10 (Molecular Structure Corporation, 1985–1999); molecular graphics: TEXSAN Version 1.11; software used to prepare material for publication: TEXSAN Version 1.11.
Crystal data top
[RuCl(C23H21N5)]ClO4·CH4O | F(000) = 1288.00 |
Mr = 635.47 | Dx = 1.650 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.7107 Å |
a = 14.768 (2) Å | Cell parameters from 31496 reflections |
b = 13.048 (2) Å | θ = 2.2–27.5° |
c = 15.084 (2) Å | µ = 0.87 mm−1 |
β = 118.349 (3)° | T = 113 K |
V = 2558.0 (5) Å3 | Block, orange |
Z = 4 | 0.48 × 0.45 × 0.20 mm |
Data collection top
Rigaku R-AXIS RAPID imaging-plate diffractometer | 4780 reflections with F2 > 2σ(F2) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.042 |
ω scans | θmax = 27.5° |
Absorption correction: multi-scan (Higashi, 1995) | h = −19→19 |
Tmin = 0.444, Tmax = 0.841 | k = −16→16 |
17293 measured reflections | l = −19→19 |
5745 independent reflections | |
Refinement top
Refinement on F2 | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.044 | w = 1/{σ2(Fo2) + [0.06(max(Fo2,0) + 2Fc2)/3]2} |
wR(F2) = 0.120 | (Δ/σ)max = 0.0003 |
S = 1.32 | Δρmax = 1.18 e Å−3 |
5743 reflections | Δρmin = −1.24 e Å−3 |
334 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The
weighted R-factor (wR) and goodness of fit (S) are based
on F2. R-factor (gt) are based on F. The threshold
expression of F2 > 2.0 σ(F2) is used only for calculating
R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ru1 | 0.70547 (2) | 0.22301 (2) | 1.00203 (2) | 0.02233 (7) | |
Cl1 | 0.59649 (6) | 0.09344 (6) | 1.01679 (7) | 0.0329 (2) | |
Cl2 | 0.85078 (8) | 0.64572 (8) | 0.91484 (8) | 0.0463 (3) | |
O1 | 0.9151 (3) | 0.7323 (2) | 0.9355 (3) | 0.059 (1) | |
O2 | 0.8308 (4) | 0.6020 (3) | 0.8228 (3) | 0.096 (1) | |
O3 | 0.7648 (3) | 0.6672 (3) | 0.9264 (5) | 0.112 (2) | |
O4 | 0.9089 (3) | 0.5672 (2) | 0.9878 (2) | 0.0594 (9) | |
O5 | 0.5929 (2) | 0.7398 (2) | 0.5370 (2) | 0.0497 (8) | |
N1 | 0.7957 (2) | 0.3330 (2) | 0.9881 (2) | 0.0260 (7) | |
N2 | 0.8360 (2) | 0.1917 (2) | 1.1354 (2) | 0.0268 (7) | |
N3 | 0.7716 (2) | 0.1308 (2) | 0.9374 (2) | 0.0273 (7) | |
N4 | 0.5980 (2) | 0.2829 (2) | 0.8662 (2) | 0.0252 (7) | |
N5 | 0.6634 (2) | 0.3426 (2) | 1.0624 (2) | 0.0232 (6) | |
C1 | 0.8845 (2) | 0.3534 (3) | 1.0891 (3) | 0.0305 (8) | |
C2 | 0.9129 (3) | 0.2585 (3) | 1.1544 (3) | 0.0304 (9) | |
C3 | 1.0116 (3) | 0.2428 (3) | 1.2317 (3) | 0.0369 (10) | |
C4 | 1.0305 (3) | 0.1578 (3) | 1.2949 (3) | 0.042 (1) | |
C5 | 0.9514 (3) | 0.0915 (3) | 1.2767 (3) | 0.041 (1) | |
C6 | 0.8545 (3) | 0.1095 (3) | 1.1954 (3) | 0.0327 (9) | |
C7 | 0.8292 (3) | 0.2987 (3) | 0.9134 (3) | 0.0309 (9) | |
C8 | 0.8344 (3) | 0.1830 (3) | 0.9104 (2) | 0.0317 (9) | |
C9 | 0.8963 (3) | 0.1334 (3) | 0.8793 (3) | 0.041 (1) | |
C10 | 0.8935 (3) | 0.0265 (3) | 0.8736 (3) | 0.047 (1) | |
C11 | 0.8302 (3) | −0.0269 (3) | 0.9006 (3) | 0.044 (1) | |
C12 | 0.7710 (3) | 0.0268 (3) | 0.9330 (3) | 0.0339 (9) | |
C13 | 0.7163 (2) | 0.4189 (2) | 0.9492 (2) | 0.0270 (8) | |
C14 | 0.6264 (2) | 0.3789 (3) | 0.8555 (2) | 0.0276 (8) | |
C15 | 0.5758 (3) | 0.4337 (3) | 0.7665 (3) | 0.0331 (9) | |
C16 | 0.4900 (3) | 0.3893 (3) | 0.6869 (3) | 0.0377 (10) | |
C17 | 0.4572 (3) | 0.2945 (3) | 0.6995 (3) | 0.0377 (10) | |
C18 | 0.5126 (3) | 0.2427 (3) | 0.7894 (3) | 0.0302 (9) | |
C19 | 0.6787 (2) | 0.4335 (2) | 1.0266 (2) | 0.0273 (8) | |
C20 | 0.6577 (3) | 0.5271 (3) | 1.0549 (3) | 0.0324 (9) | |
C21 | 0.6212 (3) | 0.5289 (3) | 1.1253 (3) | 0.0355 (9) | |
C22 | 0.6062 (3) | 0.4376 (3) | 1.1619 (3) | 0.0337 (9) | |
C23 | 0.6270 (3) | 0.3458 (3) | 1.1296 (2) | 0.0294 (8) | |
C24 | 0.6815 (4) | 0.6902 (4) | 0.6023 (4) | 0.071 (1) | |
H1 | 0.9419 | 0.3741 | 1.0812 | 0.0366* | |
H2 | 0.8667 | 0.4067 | 1.1209 | 0.0366* | |
H3 | 1.0655 | 0.2888 | 1.2418 | 0.0443* | |
H4 | 1.0972 | 0.1462 | 1.3497 | 0.0500* | |
H5 | 0.9627 | 0.0339 | 1.3192 | 0.0486* | |
H6 | 0.8002 | 0.0627 | 1.1820 | 0.0393* | |
H7 | 0.8954 | 0.3262 | 0.9320 | 0.0371* | |
H8 | 0.7814 | 0.3231 | 0.8485 | 0.0371* | |
H9 | 0.9405 | 0.1712 | 0.8618 | 0.0491* | |
H10 | 0.9351 | −0.0090 | 0.8512 | 0.0569* | |
H11 | 0.8274 | −0.0996 | 0.8971 | 0.0529* | |
H12 | 0.7283 | −0.0103 | 0.9530 | 0.0406* | |
H13 | 0.7433 | 0.4803 | 0.9373 | 0.0323* | |
H14 | 0.5990 | 0.4998 | 0.7600 | 0.0397* | |
H15 | 0.4544 | 0.4243 | 0.6244 | 0.0453* | |
H16 | 0.3969 | 0.2648 | 0.6468 | 0.0452* | |
H17 | 0.4899 | 0.1768 | 0.7973 | 0.0362* | |
H18 | 0.6678 | 0.5889 | 1.0274 | 0.0389* | |
H19 | 0.6070 | 0.5922 | 1.1474 | 0.0427* | |
H20 | 0.5814 | 0.4377 | 1.2096 | 0.0405* | |
H21 | 0.6155 | 0.2834 | 1.1552 | 0.0353* | |
H22 | 0.6654 | 0.6228 | 0.6142 | 0.0858* | |
H23 | 0.7140 | 0.7267 | 0.6642 | 0.0858* | |
H24 | 0.7266 | 0.6867 | 0.5738 | 0.0858* | |
H25 | 0.5338 | 0.7006 | 0.5181 | 0.0436* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ru1 | 0.0229 (2) | 0.0187 (1) | 0.0281 (2) | −0.00078 (9) | 0.0144 (1) | −0.00029 (9) |
Cl1 | 0.0337 (4) | 0.0228 (4) | 0.0492 (5) | −0.0042 (3) | 0.0255 (4) | −0.0005 (3) |
Cl2 | 0.0426 (5) | 0.0462 (5) | 0.0536 (6) | −0.0102 (4) | 0.0256 (5) | 0.0003 (4) |
O1 | 0.049 (2) | 0.032 (2) | 0.112 (3) | −0.010 (1) | 0.050 (2) | −0.006 (2) |
O2 | 0.137 (4) | 0.080 (3) | 0.047 (2) | −0.022 (3) | 0.023 (2) | −0.016 (2) |
O3 | 0.074 (3) | 0.057 (2) | 0.255 (6) | 0.029 (2) | 0.118 (4) | 0.046 (3) |
O4 | 0.058 (2) | 0.047 (2) | 0.058 (2) | 0.002 (1) | 0.015 (2) | 0.011 (1) |
O5 | 0.044 (2) | 0.037 (1) | 0.052 (2) | −0.012 (1) | 0.009 (1) | 0.005 (1) |
N1 | 0.028 (1) | 0.024 (1) | 0.030 (1) | −0.001 (1) | 0.017 (1) | 0.001 (1) |
N2 | 0.027 (1) | 0.027 (1) | 0.030 (1) | 0.004 (1) | 0.016 (1) | 0.001 (1) |
N3 | 0.028 (1) | 0.026 (1) | 0.028 (1) | 0.002 (1) | 0.014 (1) | 0.000 (1) |
N4 | 0.025 (1) | 0.026 (1) | 0.028 (1) | 0.001 (1) | 0.016 (1) | −0.001 (1) |
N5 | 0.021 (1) | 0.022 (1) | 0.028 (1) | −0.001 (1) | 0.012 (1) | 0.000 (1) |
C1 | 0.024 (2) | 0.031 (2) | 0.035 (2) | −0.002 (1) | 0.013 (1) | 0.001 (1) |
C2 | 0.030 (2) | 0.032 (2) | 0.033 (2) | 0.001 (1) | 0.018 (2) | −0.002 (1) |
C3 | 0.026 (2) | 0.045 (2) | 0.037 (2) | 0.002 (2) | 0.013 (2) | 0.000 (2) |
C4 | 0.033 (2) | 0.054 (2) | 0.034 (2) | 0.011 (2) | 0.013 (2) | 0.006 (2) |
C5 | 0.045 (2) | 0.041 (2) | 0.037 (2) | 0.017 (2) | 0.021 (2) | 0.009 (2) |
C6 | 0.042 (2) | 0.027 (2) | 0.035 (2) | 0.007 (1) | 0.023 (2) | 0.002 (1) |
C7 | 0.029 (2) | 0.034 (2) | 0.035 (2) | 0.003 (1) | 0.020 (2) | 0.003 (1) |
C8 | 0.031 (2) | 0.036 (2) | 0.029 (2) | 0.001 (1) | 0.016 (1) | −0.001 (1) |
C9 | 0.038 (2) | 0.049 (2) | 0.043 (2) | 0.006 (2) | 0.026 (2) | −0.001 (2) |
C10 | 0.051 (2) | 0.050 (2) | 0.050 (2) | 0.014 (2) | 0.031 (2) | −0.007 (2) |
C11 | 0.046 (2) | 0.033 (2) | 0.051 (2) | 0.008 (2) | 0.021 (2) | −0.008 (2) |
C12 | 0.038 (2) | 0.028 (2) | 0.036 (2) | 0.004 (1) | 0.018 (2) | −0.003 (1) |
C13 | 0.027 (2) | 0.022 (1) | 0.035 (2) | −0.003 (1) | 0.017 (1) | 0.000 (1) |
C14 | 0.028 (2) | 0.029 (2) | 0.031 (2) | 0.003 (1) | 0.018 (1) | 0.001 (1) |
C15 | 0.039 (2) | 0.033 (2) | 0.034 (2) | 0.009 (2) | 0.023 (2) | 0.005 (1) |
C16 | 0.035 (2) | 0.048 (2) | 0.033 (2) | 0.014 (2) | 0.019 (2) | 0.005 (2) |
C17 | 0.028 (2) | 0.052 (2) | 0.033 (2) | 0.005 (2) | 0.014 (2) | −0.006 (2) |
C18 | 0.028 (2) | 0.034 (2) | 0.032 (2) | −0.002 (1) | 0.017 (1) | −0.006 (1) |
C19 | 0.025 (2) | 0.024 (1) | 0.034 (2) | −0.002 (1) | 0.015 (1) | −0.002 (1) |
C20 | 0.033 (2) | 0.022 (2) | 0.041 (2) | −0.002 (1) | 0.016 (2) | −0.002 (1) |
C21 | 0.040 (2) | 0.029 (2) | 0.039 (2) | 0.005 (2) | 0.019 (2) | −0.006 (1) |
C22 | 0.033 (2) | 0.037 (2) | 0.036 (2) | 0.002 (2) | 0.020 (2) | −0.003 (1) |
C23 | 0.029 (2) | 0.026 (2) | 0.036 (2) | 0.001 (1) | 0.018 (1) | 0.000 (1) |
C24 | 0.051 (3) | 0.040 (2) | 0.089 (4) | −0.007 (2) | 0.004 (3) | 0.010 (3) |
Geometric parameters (Å, º) top
Ru1—Cl1 | 2.4162 (8) | C14—C15 | 1.384 (4) |
Ru1—N1 | 2.036 (3) | C15—C16 | 1.392 (5) |
Ru1—N2 | 2.060 (3) | C16—C17 | 1.375 (6) |
Ru1—N3 | 2.062 (3) | C17—C18 | 1.383 (5) |
Ru1—N4 | 2.059 (3) | C19—C20 | 1.377 (4) |
Ru1—N5 | 2.047 (3) | C20—C21 | 1.401 (5) |
Cl2—O1 | 1.413 (3) | C21—C22 | 1.374 (5) |
Cl2—O2 | 1.396 (4) | C22—C23 | 1.382 (5) |
Cl2—O3 | 1.390 (3) | O5—H25 | 0.931 |
Cl2—O4 | 1.449 (3) | C1—H1 | 0.950 |
O5—C24 | 1.371 (6) | C1—H2 | 0.950 |
N1—C1 | 1.488 (4) | C3—H3 | 0.950 |
N1—C7 | 1.497 (4) | C4—H4 | 0.950 |
N1—C13 | 1.524 (4) | C5—H5 | 0.950 |
N2—C2 | 1.350 (4) | C6—H6 | 0.950 |
N2—C6 | 1.344 (4) | C7—H7 | 0.950 |
N3—C8 | 1.360 (4) | C7—H8 | 0.950 |
N3—C12 | 1.359 (4) | C9—H9 | 0.950 |
N4—C14 | 1.356 (4) | C10—H10 | 0.950 |
N4—C18 | 1.349 (4) | C11—H11 | 0.950 |
N5—C19 | 1.364 (4) | C12—H12 | 0.950 |
N5—C23 | 1.355 (4) | C13—H13 | 0.950 |
C1—C2 | 1.513 (5) | C15—H14 | 0.950 |
C2—C3 | 1.383 (5) | C16—H15 | 0.950 |
C3—C4 | 1.402 (6) | C17—H16 | 0.950 |
C4—C5 | 1.371 (6) | C18—H17 | 0.950 |
C5—C6 | 1.394 (5) | C20—H18 | 0.950 |
C7—C8 | 1.513 (5) | C21—H19 | 0.950 |
C8—C9 | 1.373 (5) | C22—H20 | 0.950 |
C9—C10 | 1.396 (6) | C23—H21 | 0.950 |
C10—C11 | 1.373 (6) | C24—H22 | 0.950 |
C11—C12 | 1.378 (5) | C24—H23 | 0.950 |
C13—C14 | 1.500 (4) | C24—H24 | 0.950 |
C13—C19 | 1.525 (4) | | |
| | | |
CL1···O5i | 3.158 (3) | O3···C17vii | 3.346 (6) |
CL1···C16ii | 3.598 (4) | O3···C13 | 3.371 (5) |
CL1···CL1iii | 3.599 (2) | O3···C20 | 3.536 (5) |
O1···C3iv | 3.199 (5) | O4···O4iv | 3.084 (7) |
O1···C11v | 3.330 (5) | O4···C5viii | 3.164 (5) |
O1···C1iv | 3.345 (5) | O4···C4viii | 3.186 (5) |
O1···C9iv | 3.354 (5) | O4···C13 | 3.257 (4) |
O1···C7iv | 3.384 (5) | O4···C1 | 3.282 (5) |
O1···C2iv | 3.403 (5) | O4···N1 | 3.485 (4) |
O1···C8iv | 3.486 (5) | O5···C20ix | 3.161 (4) |
O2···C24 | 3.207 (7) | O5···C21ix | 3.244 (5) |
O2···C5vi | 3.349 (7) | O5···C17x | 3.312 (5) |
O2···C3iv | 3.466 (6) | O5···C23vii | 3.320 (4) |
O2···C6vi | 3.476 (6) | O5···C16x | 3.438 (5) |
| | | |
Cl1—Ru1—N1 | 179.28 (8) | C15—C16—C17 | 119.5 (3) |
Cl1—Ru1—N2 | 97.27 (8) | C16—C17—C18 | 119.5 (3) |
Cl1—Ru1—N3 | 96.94 (8) | N4—C18—C17 | 121.9 (3) |
Cl1—Ru1—N4 | 97.16 (8) | N5—C19—C13 | 112.5 (3) |
Cl1—Ru1—N5 | 97.85 (7) | N5—C19—C20 | 123.0 (3) |
N1—Ru1—N2 | 83.4 (1) | C13—C19—C20 | 124.4 (3) |
N1—Ru1—N3 | 83.2 (1) | C19—C20—C21 | 118.2 (3) |
N1—Ru1—N4 | 82.1 (1) | C20—C21—C22 | 118.9 (3) |
N1—Ru1—N5 | 82.0 (1) | C21—C22—C23 | 120.3 (3) |
N2—Ru1—N3 | 85.0 (1) | N5—C23—C22 | 121.6 (3) |
N2—Ru1—N4 | 165.6 (1) | C24—O5—H25 | 113.3 |
N2—Ru1—N5 | 93.3 (1) | N1—C1—H1 | 109.1 |
N3—Ru1—N4 | 93.7 (1) | N1—C1—H2 | 109.1 |
N3—Ru1—N5 | 165.2 (1) | C2—C1—H1 | 109.1 |
N4—Ru1—N5 | 84.25 (10) | C2—C1—H2 | 109.1 |
O1—Cl2—O2 | 110.4 (3) | H1—C1—H2 | 109.5 |
O1—Cl2—O3 | 111.7 (2) | C2—C3—H3 | 120.7 |
O1—Cl2—O4 | 107.7 (2) | C4—C3—H3 | 120.7 |
O2—Cl2—O3 | 115.6 (4) | C3—C4—H4 | 120.4 |
O2—Cl2—O4 | 103.6 (2) | C5—C4—H4 | 120.4 |
O3—Cl2—O4 | 107.1 (3) | C4—C5—H5 | 120.3 |
Ru1—N1—C1 | 108.8 (2) | C6—C5—H5 | 120.3 |
Ru1—N1—C7 | 109.5 (2) | N2—C6—H6 | 119.2 |
Ru1—N1—C13 | 97.8 (2) | C5—C6—H6 | 119.3 |
C1—N1—C7 | 112.2 (2) | N1—C7—H7 | 109.1 |
C1—N1—C13 | 113.9 (2) | N1—C7—H8 | 109.1 |
C7—N1—C13 | 113.5 (2) | C8—C7—H7 | 109.1 |
Ru1—N2—C2 | 112.5 (2) | C8—C7—H8 | 109.1 |
Ru1—N2—C6 | 127.7 (2) | H7—C7—H8 | 109.5 |
C2—N2—C6 | 119.3 (3) | C8—C9—H9 | 120.4 |
Ru1—N3—C8 | 113.1 (2) | C10—C9—H9 | 120.4 |
Ru1—N3—C12 | 127.8 (2) | C9—C10—H10 | 120.3 |
C8—N3—C12 | 118.3 (3) | C11—C10—H10 | 120.3 |
Ru1—N4—C14 | 109.5 (2) | C10—C11—H11 | 120.5 |
Ru1—N4—C18 | 132.2 (2) | C12—C11—H11 | 120.5 |
C14—N4—C18 | 118.3 (3) | N3—C12—H12 | 118.8 |
Ru1—N5—C19 | 110.2 (2) | C11—C12—H12 | 118.8 |
Ru1—N5—C23 | 131.9 (2) | N1—C13—H13 | 112.2 |
C19—N5—C23 | 117.9 (3) | C14—C13—H13 | 112.2 |
N1—C1—C2 | 110.9 (3) | C19—C13—H13 | 112.2 |
N2—C2—C1 | 116.4 (3) | C14—C15—H14 | 120.9 |
N2—C2—C3 | 121.9 (3) | C16—C15—H14 | 120.9 |
C1—C2—C3 | 121.7 (3) | C15—C16—H15 | 120.3 |
C2—C3—C4 | 118.7 (4) | C17—C16—H15 | 120.3 |
C3—C4—C5 | 119.2 (3) | C16—C17—H16 | 120.3 |
C4—C5—C6 | 119.4 (3) | C18—C17—H16 | 120.3 |
N2—C6—C5 | 121.5 (3) | N4—C18—H17 | 119.1 |
N1—C7—C8 | 111.1 (3) | C17—C18—H17 | 119.1 |
N3—C8—C7 | 116.0 (3) | C19—C20—H18 | 120.9 |
N3—C8—C9 | 121.8 (3) | C21—C20—H18 | 120.9 |
C7—C8—C9 | 122.2 (3) | C20—C21—H19 | 120.5 |
C8—C9—C10 | 119.1 (4) | C22—C21—H19 | 120.5 |
C9—C10—C11 | 119.5 (3) | C21—C22—H20 | 119.9 |
C10—C11—C12 | 118.9 (4) | C23—C22—H20 | 119.9 |
N3—C12—C11 | 122.3 (3) | N5—C23—H21 | 119.2 |
N1—C13—C14 | 106.4 (2) | C22—C23—H21 | 119.2 |
N1—C13—C19 | 106.9 (2) | O5—C24—H22 | 109.5 |
C14—C13—C19 | 106.5 (3) | O5—C24—H23 | 109.5 |
N4—C14—C13 | 113.2 (3) | O5—C24—H24 | 109.5 |
N4—C14—C15 | 122.5 (3) | H22—C24—H23 | 109.5 |
C13—C14—C15 | 124.3 (3) | H22—C24—H24 | 109.5 |
C14—C15—C16 | 118.2 (3) | H23—C24—H24 | 109.5 |
Symmetry codes: (i) −x+1, y−1/2, −z+3/2; (ii) x, −y+1/2, z+1/2; (iii) −x+1, −y, −z+2; (iv) −x+2, −y+1, −z+2; (v) x, y+1, z; (vi) x, −y+1/2, z−1/2; (vii) −x+1, y+1/2, −z+3/2; (viii) −x+2, y+1/2, −z+5/2; (ix) x, −y+3/2, z−1/2; (x) −x+1, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H25···Cl1vii | 0.93 | 2.23 | 3.158 (3) | 174 |
Symmetry code: (vii) −x+1, y+1/2, −z+3/2. |
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