The cationic pseudo-square-planar complex tetrakis(1-methyl-2,3-dihydro-1H-imidazole-2-thione-κS)gold(III) trichloride sesquihydrate, [Au(C4H6N2S)4]Cl3·1.5H2O, was isolated as dark-red crystals from the reaction of chloroauric acid trihydrate (HAuCl4·3H2O) with four equivalents of methimazole in methanol. The AuIII atoms reside at the corners of the unit cell on an inversion center and are bound by the S atoms of four methimazole ligands in a planar arrangement, with S—Au—S bond angles of approximately 90°.
Supporting information
CCDC reference: 1052635
Data collection: CrystalClear-SM Expert (Rigaku, 2011); cell refinement: CrystalClear-SM Expert (Rigaku, 2011); data reduction: CrystalClear-SM Expert (Rigaku, 2011); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: CrystalStructure (Rigaku, 2010) and Marvinsketch (ChemAxon,
2010); software used to prepare material for publication: CrystalStructure (Rigaku, 2010).
Tetrakis(1-methyl-2,3-dihydro-1
H-imidazole-2-thione-
κS)gold(III)
trichloride sesquihydrate
top
Crystal data top
[Au(C4H6N2S)4]Cl3·1.5H2O | Z = 1 |
Mr = 787.05 | F(000) = 385.00 |
Triclinic, P1 | Dx = 1.739 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71075 Å |
a = 8.153 (11) Å | Cell parameters from 2388 reflections |
b = 9.866 (12) Å | θ = 2.7–27.5° |
c = 9.969 (12) Å | µ = 5.49 mm−1 |
α = 90.179 (12)° | T = 173 K |
β = 96.892 (14)° | Prism, red |
γ = 109.15 (2)° | 0.19 × 0.10 × 0.08 mm |
V = 751.3 (17) Å3 | |
Data collection top
Rigaku XtaLAB mini diffractometer | 3254 reflections with F2 > 2σ(F2) |
Detector resolution: 6.827 pixels mm-1 | Rint = 0.041 |
ω scans | θmax = 27.6° |
Absorption correction: multi-scan (REQAB; Rigaku, 1998) | h = −10→10 |
Tmin = 0.491, Tmax = 0.645 | k = −12→12 |
7972 measured reflections | l = −12→12 |
3439 independent reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.106 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0495P)2 + 0.9654P] where P = (Fo2 + 2Fc2)/3 |
3439 reflections | (Δ/σ)max < 0.001 |
178 parameters | Δρmax = 1.49 e Å−3 |
0 restraints | Δρmin = −1.74 e Å−3 |
Primary atom site location: structure-invariant direct methods | |
Special details top
Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY |
Refinement. Refinement was performed using all reflections. 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 | Occ. (<1) |
Au1 | 1.0000 | 1.0000 | 1.0000 | 0.03430 (12) | |
Cl1 | 0.6005 (11) | 0.4011 (10) | 0.4594 (8) | 0.0516 (15) | 0.5000 |
Cl2 | 1.5118 (10) | 0.8495 (9) | 0.9627 (8) | 0.0515 (14) | 0.5000 |
Cl3 | 0.5192 (5) | 0.8748 (6) | 0.6579 (5) | 0.0674 (12) | 0.5000 |
S1 | 1.0128 (3) | 0.92339 (17) | 0.77963 (15) | 0.0506 (5) | |
S2 | 0.9997 (3) | 0.77422 (16) | 1.07689 (15) | 0.0437 (4) | |
O1 | 0.649 (3) | 0.431 (3) | 0.481 (3) | 0.077 (8) | 0.5000 |
O2 | 1.472 (6) | 0.825 (6) | 0.988 (6) | 0.085 (17) | 0.2500 |
N1 | 1.1393 (7) | 1.1656 (6) | 0.6377 (5) | 0.0381 (11) | |
N2 | 0.8580 (8) | 1.0781 (6) | 0.6102 (6) | 0.0417 (12) | |
N3 | 0.8649 (8) | 0.5827 (6) | 0.8576 (6) | 0.0410 (12) | |
N4 | 1.1459 (8) | 0.6641 (6) | 0.8894 (6) | 0.0412 (12) | |
C1 | 1.0025 (9) | 1.0606 (7) | 0.6752 (6) | 0.0373 (13) | |
C2 | 1.0773 (11) | 1.2484 (7) | 0.5488 (7) | 0.0460 (16) | |
C3 | 0.9027 (10) | 1.1950 (7) | 0.5311 (7) | 0.0438 (15) | |
C4 | 1.3237 (13) | 1.1892 (12) | 0.6904 (10) | 0.079 (3) | |
C5 | 1.0038 (8) | 0.6731 (6) | 0.9367 (6) | 0.0345 (13) | |
C6 | 0.9239 (11) | 0.5192 (7) | 0.7591 (7) | 0.0489 (18) | |
C7 | 1.1016 (11) | 0.5709 (7) | 0.7800 (7) | 0.0488 (17) | |
C8 | 0.6757 (12) | 0.5606 (11) | 0.8712 (11) | 0.075 (3) | |
H1 | 0.7503 | 1.0230 | 0.6172 | 0.0501* | |
H2 | 1.1467 | 1.3299 | 0.5069 | 0.0552* | |
H3 | 0.8249 | 1.2308 | 0.4750 | 0.0525* | |
H4A | 1.3535 | 1.1036 | 0.6695 | 0.0946* | |
H4B | 1.3409 | 1.2075 | 0.7886 | 0.0946* | |
H4C | 1.3994 | 1.2720 | 0.6481 | 0.0946* | |
H5 | 1.2541 | 0.7120 | 0.9244 | 0.0495* | |
H6 | 0.8535 | 0.4517 | 0.6897 | 0.0587* | |
H7 | 1.1794 | 0.5468 | 0.7283 | 0.0585* | |
H8A | 0.6536 | 0.6520 | 0.8604 | 0.0899* | |
H8B | 0.6505 | 0.5252 | 0.9607 | 0.0899* | |
H8C | 0.6001 | 0.4902 | 0.8013 | 0.0899* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Au1 | 0.0618 (3) | 0.02442 (17) | 0.02127 (17) | 0.01898 (14) | 0.00965 (13) | 0.00366 (11) |
Cl1 | 0.048 (4) | 0.052 (3) | 0.048 (3) | 0.007 (3) | 0.007 (2) | −0.0020 (19) |
Cl2 | 0.042 (2) | 0.053 (3) | 0.054 (3) | 0.0103 (18) | 0.001 (2) | −0.005 (3) |
Cl3 | 0.0431 (18) | 0.098 (4) | 0.054 (3) | 0.011 (2) | 0.0086 (16) | −0.002 (3) |
S1 | 0.1108 (15) | 0.0316 (8) | 0.0226 (8) | 0.0378 (9) | 0.0184 (8) | 0.0057 (6) |
S2 | 0.0883 (12) | 0.0261 (7) | 0.0256 (7) | 0.0285 (8) | 0.0140 (8) | 0.0046 (6) |
O1 | 0.045 (13) | 0.083 (17) | 0.119 (18) | 0.039 (12) | 0.024 (11) | 0.005 (12) |
O2 | 0.10 (4) | 0.09 (3) | 0.08 (3) | 0.07 (3) | −0.00 (3) | 0.03 (2) |
N1 | 0.055 (3) | 0.034 (3) | 0.027 (3) | 0.016 (3) | 0.009 (3) | 0.002 (2) |
N2 | 0.058 (4) | 0.035 (3) | 0.034 (3) | 0.017 (3) | 0.006 (3) | 0.001 (3) |
N3 | 0.064 (4) | 0.030 (3) | 0.034 (3) | 0.023 (3) | 0.005 (3) | 0.000 (2) |
N4 | 0.062 (4) | 0.032 (3) | 0.034 (3) | 0.022 (3) | 0.007 (3) | 0.006 (3) |
C1 | 0.063 (4) | 0.029 (3) | 0.022 (3) | 0.017 (3) | 0.009 (3) | −0.001 (3) |
C2 | 0.085 (5) | 0.028 (3) | 0.030 (4) | 0.023 (4) | 0.019 (4) | 0.008 (3) |
C3 | 0.065 (5) | 0.043 (4) | 0.029 (3) | 0.026 (4) | 0.005 (3) | 0.004 (3) |
C4 | 0.088 (7) | 0.089 (8) | 0.061 (6) | 0.030 (6) | 0.016 (5) | 0.003 (5) |
C5 | 0.054 (4) | 0.024 (3) | 0.029 (3) | 0.018 (3) | 0.007 (3) | 0.001 (3) |
C6 | 0.093 (6) | 0.030 (3) | 0.028 (4) | 0.028 (4) | 0.004 (4) | −0.002 (3) |
C7 | 0.088 (6) | 0.037 (4) | 0.035 (4) | 0.036 (4) | 0.016 (4) | 0.002 (3) |
C8 | 0.066 (6) | 0.067 (6) | 0.091 (8) | 0.021 (5) | 0.008 (5) | 0.002 (5) |
Geometric parameters (Å, º) top
Au1—S1 | 2.346 (3) | N4—C7 | 1.359 (9) |
Au1—S1i | 2.346 (3) | C2—C3 | 1.335 (11) |
Au1—S2 | 2.357 (3) | C6—C7 | 1.358 (12) |
Au1—S2i | 2.357 (3) | N2—H1 | 0.880 |
S1—C1 | 1.728 (7) | N4—H5 | 0.880 |
S2—C5 | 1.724 (7) | C2—H2 | 0.950 |
N1—C1 | 1.343 (8) | C3—H3 | 0.950 |
N1—C2 | 1.369 (10) | C4—H4A | 0.980 |
N1—C4 | 1.473 (12) | C4—H4B | 0.980 |
N2—C1 | 1.337 (10) | C4—H4C | 0.980 |
N2—C3 | 1.372 (9) | C6—H6 | 0.950 |
N3—C5 | 1.349 (7) | C7—H7 | 0.950 |
N3—C6 | 1.376 (11) | C8—H8A | 0.980 |
N3—C8 | 1.508 (12) | C8—H8B | 0.980 |
N4—C5 | 1.330 (10) | C8—H8C | 0.980 |
| | | |
Au1···C1i | 3.296 (7) | Cl2···H4Bv | 2.7643 |
Au1···C5i | 3.295 (8) | Cl2···H5 | 2.0824 |
S1···N3 | 3.307 (7) | Cl2···H8Avi | 2.8136 |
S1···N4 | 3.237 (8) | Cl3···H1 | 2.0569 |
S1···C4 | 3.208 (10) | Cl3···H3viii | 2.8093 |
S1···C5 | 2.914 (7) | Cl3···H4Avii | 2.9945 |
S2···N1i | 3.307 (7) | Cl3···H4Aix | 3.5285 |
S2···N2i | 3.345 (7) | Cl3···H4Cix | 3.5966 |
S2···C1i | 2.962 (7) | Cl3···H8A | 3.3446 |
S2···C8 | 3.262 (9) | S1···H3ix | 3.5511 |
N2···C4 | 3.577 (13) | S2···H6x | 3.5962 |
Cl1···Cl1ii | 3.092 (15) | O1···H2ix | 2.3881 |
Cl1···Cl3ii | 2.774 (11) | O1···H3xi | 2.8022 |
Cl1···O1ii | 3.12 (3) | O1···H4Ciii | 2.8534 |
Cl1···C4iii | 3.599 (13) | O1···H4Cix | 3.3203 |
Cl1···C7iv | 3.553 (13) | O1···H6 | 2.4698 |
Cl2···Cl2v | 3.132 (14) | O1···H7iv | 2.6153 |
Cl2···Cl3vi | 3.056 (10) | O1···H8C | 3.3407 |
Cl2···O2v | 3.21 (6) | O1···H8Cii | 3.5080 |
Cl2···N4 | 2.944 (9) | O2···H4Av | 3.5179 |
Cl3···Cl1ii | 2.774 (11) | O2···H4Bv | 2.6314 |
Cl3···Cl2vii | 3.056 (10) | O2···H5 | 1.7920 |
Cl3···O1ii | 3.12 (3) | O2···H8Avi | 2.9672 |
Cl3···O2vii | 3.37 (6) | O2···H8Bx | 3.3241 |
Cl3···N2 | 2.927 (7) | N1···H1ix | 3.5137 |
Cl3···C3viii | 3.569 (9) | N2···H4Aix | 3.2795 |
S1···C2ix | 3.564 (8) | N3···H5x | 3.5801 |
S1···C3ix | 3.529 (8) | N4···H8Bx | 3.1510 |
S2···C6x | 3.523 (9) | C2···H6xii | 3.5106 |
S2···C7x | 3.575 (8) | C2···H7xii | 3.2504 |
O1···Cl1ii | 3.12 (3) | C3···H4Aix | 3.4595 |
O1···Cl3ii | 3.12 (3) | C3···H6xii | 3.1414 |
O1···O1ii | 3.21 (4) | C4···H1ix | 3.5828 |
O1···C2ix | 3.25 (3) | C4···H8Cxiii | 3.1802 |
O1···C3xi | 3.59 (3) | C6···H2ix | 3.1308 |
O1···C6 | 3.27 (3) | C7···H3ix | 3.2054 |
O1···C7iv | 3.49 (3) | C7···H8Bx | 3.4185 |
O2···Cl2v | 3.21 (6) | C8···H4Ciii | 3.5606 |
O2···Cl3vi | 3.37 (6) | C8···H5x | 3.5325 |
O2···O2v | 3.34 (8) | C8···H8Bxiv | 3.1932 |
O2···N4 | 2.67 (5) | H1···Cl3 | 2.0569 |
O2···C4v | 3.46 (5) | H1···N1ix | 3.5137 |
O2···C5 | 3.58 (5) | H1···C4ix | 3.5828 |
N1···N2ix | 3.450 (9) | H1···H4Aix | 3.0253 |
N2···Cl3 | 2.927 (7) | H2···Cl1ix | 2.7646 |
N2···N1ix | 3.450 (9) | H2···O1ix | 2.3881 |
N3···N4x | 3.500 (9) | H2···C6ix | 3.1308 |
N4···Cl2 | 2.944 (9) | H2···H6ix | 2.9169 |
N4···O2 | 2.67 (5) | H2···H7xii | 2.9960 |
N4···N3x | 3.500 (9) | H3···Cl1xii | 2.8538 |
C1···C3ix | 3.580 (11) | H3···Cl3viii | 2.8093 |
C2···S1ix | 3.564 (8) | H3···S1ix | 3.5511 |
C2···O1ix | 3.25 (3) | H3···O1xii | 2.8022 |
C3···Cl3viii | 3.569 (9) | H3···C7ix | 3.2054 |
C3···S1ix | 3.529 (8) | H3···H4Aix | 3.3758 |
C3···O1xii | 3.59 (3) | H3···H6xii | 2.9841 |
C3···C1ix | 3.580 (11) | H3···H7ix | 2.9972 |
C4···Cl1xiii | 3.599 (13) | H4A···Cl3vi | 2.9945 |
C4···O2v | 3.46 (5) | H4A···Cl3ix | 3.5285 |
C5···O2 | 3.58 (5) | H4A···O2v | 3.5179 |
C6···S2x | 3.523 (9) | H4A···N2ix | 3.2795 |
C6···O1 | 3.27 (3) | H4A···C3ix | 3.4595 |
C7···Cl1iv | 3.553 (13) | H4A···H1ix | 3.0253 |
C7···S2x | 3.575 (8) | H4A···H3ix | 3.3758 |
C7···O1iv | 3.49 (3) | H4B···Cl2v | 2.7643 |
S1···H1 | 2.9538 | H4B···O2v | 2.6314 |
S1···H4A | 3.0961 | H4B···H8Bxiii | 3.5878 |
S1···H4B | 3.1693 | H4B···H8Cxiii | 2.8858 |
S1···H5 | 3.5117 | H4C···Cl1xiii | 2.6899 |
S1···H8A | 3.4393 | H4C···Cl1ix | 3.4012 |
S2···H4Bi | 3.2804 | H4C···Cl3ix | 3.5966 |
S2···H5 | 2.9289 | H4C···O1xiii | 2.8534 |
S2···H8A | 3.2192 | H4C···O1ix | 3.3203 |
S2···H8B | 3.1757 | H4C···C8xiii | 3.5606 |
N1···H1 | 2.9998 | H4C···H6xiii | 3.5138 |
N1···H3 | 3.1152 | H4C···H8Cxiii | 2.5911 |
N2···H2 | 3.0876 | H5···Cl2 | 2.0824 |
N3···H5 | 2.9949 | H5···O2 | 1.7920 |
N3···H7 | 3.1224 | H5···N3x | 3.5801 |
N4···H6 | 3.0973 | H5···C8x | 3.5325 |
C1···H2 | 3.1160 | H5···H8Bx | 2.8963 |
C1···H3 | 3.1339 | H6···Cl1 | 2.8205 |
C1···H4A | 2.7595 | H6···S2x | 3.5962 |
C1···H4B | 2.7586 | H6···O1 | 2.4698 |
C1···H4C | 3.2678 | H6···C2xi | 3.5106 |
C2···H1 | 3.0124 | H6···C3xi | 3.1414 |
C2···H4A | 3.1673 | H6···H2ix | 2.9169 |
C2···H4B | 3.1366 | H6···H3xi | 2.9841 |
C2···H4C | 2.6271 | H6···H4Ciii | 3.5138 |
C4···H2 | 2.8382 | H7···Cl1iv | 2.6812 |
C5···H6 | 3.1341 | H7···O1iv | 2.6153 |
C5···H7 | 3.1287 | H7···C2xi | 3.2504 |
C5···H8A | 2.8045 | H7···H2xi | 2.9960 |
C5···H8B | 2.8101 | H7···H3ix | 2.9972 |
C5···H8C | 3.3066 | H7···H8Bx | 3.4157 |
C6···H5 | 3.0223 | H8A···Cl1ii | 3.5245 |
C6···H8A | 3.1646 | H8A···Cl2vii | 2.8136 |
C6···H8B | 3.1894 | H8A···Cl3 | 3.3446 |
C6···H8C | 2.6454 | H8A···O2vii | 2.9672 |
C8···H6 | 2.8581 | H8A···H8Bxiv | 3.2584 |
H1···H3 | 2.4479 | H8B···O2x | 3.3241 |
H2···H3 | 2.4603 | H8B···N4x | 3.1510 |
H2···H4A | 3.5065 | H8B···C7x | 3.4185 |
H2···H4B | 3.4730 | H8B···C8xiv | 3.1932 |
H2···H4C | 2.5753 | H8B···H4Biii | 3.5878 |
H5···H7 | 2.4270 | H8B···H5x | 2.8963 |
H6···H7 | 2.4911 | H8B···H7x | 3.4157 |
H6···H8A | 3.4952 | H8B···H8Axiv | 3.2584 |
H6···H8B | 3.5235 | H8B···H8Bxiv | 2.5580 |
H6···H8C | 2.5911 | H8B···H8Cxiv | 3.2844 |
Cl1···H2ix | 2.7646 | H8C···Cl1 | 3.5181 |
Cl1···H3xi | 2.8538 | H8C···Cl1ii | 3.2753 |
Cl1···H4Ciii | 2.6899 | H8C···O1 | 3.3407 |
Cl1···H4Cix | 3.4012 | H8C···O1ii | 3.5080 |
Cl1···H6 | 2.8205 | H8C···C4iii | 3.1802 |
Cl1···H7iv | 2.6812 | H8C···H4Biii | 2.8858 |
Cl1···H8Aii | 3.5245 | H8C···H4Ciii | 2.5911 |
Cl1···H8C | 3.5181 | H8C···H8Bxiv | 3.2844 |
Cl1···H8Cii | 3.2753 | | |
| | | |
S1—Au1—S1i | 180.00 (10) | N4—C7—C6 | 106.4 (8) |
S1—Au1—S2 | 89.47 (9) | C1—N2—H1 | 125.035 |
S1—Au1—S2i | 90.53 (9) | C3—N2—H1 | 125.031 |
S1i—Au1—S2 | 90.53 (9) | C5—N4—H5 | 124.534 |
S1i—Au1—S2i | 89.47 (9) | C7—N4—H5 | 124.532 |
S2—Au1—S2i | 180.00 (9) | N1—C2—H2 | 125.792 |
Au1—S1—C1 | 107.0 (3) | C3—C2—H2 | 125.788 |
Au1—S2—C5 | 106.6 (3) | N2—C3—H3 | 126.876 |
C1—N1—C2 | 108.6 (6) | C2—C3—H3 | 126.870 |
C1—N1—C4 | 124.5 (7) | N1—C4—H4A | 109.470 |
C2—N1—C4 | 126.8 (6) | N1—C4—H4B | 109.469 |
C1—N2—C3 | 109.9 (6) | N1—C4—H4C | 109.471 |
C5—N3—C6 | 109.0 (6) | H4A—C4—H4B | 109.473 |
C5—N3—C8 | 125.3 (7) | H4A—C4—H4C | 109.471 |
C6—N3—C8 | 125.7 (6) | H4B—C4—H4C | 109.472 |
C5—N4—C7 | 110.9 (6) | N3—C6—H6 | 126.437 |
S1—C1—N1 | 126.3 (6) | C7—C6—H6 | 126.432 |
S1—C1—N2 | 126.8 (5) | N4—C7—H7 | 126.797 |
N1—C1—N2 | 106.8 (6) | C6—C7—H7 | 126.796 |
N1—C2—C3 | 108.4 (6) | N3—C8—H8A | 109.472 |
N2—C3—C2 | 106.3 (7) | N3—C8—H8B | 109.471 |
S2—C5—N3 | 127.0 (6) | N3—C8—H8C | 109.470 |
S2—C5—N4 | 126.4 (5) | H8A—C8—H8B | 109.474 |
N3—C5—N4 | 106.5 (6) | H8A—C8—H8C | 109.474 |
N3—C6—C7 | 107.1 (6) | H8B—C8—H8C | 109.467 |
| | | |
S1—Au1—S2—C5 | −1.26 (10) | C4—N1—C1—N2 | 177.4 (7) |
S2—Au1—S1—C1 | 176.45 (11) | C4—N1—C2—C3 | −177.2 (7) |
S1—Au1—S2i—C5i | −178.74 (10) | C1—N2—C3—C2 | 0.1 (8) |
S2i—Au1—S1—C1 | −3.55 (11) | C3—N2—C1—S1 | −176.7 (5) |
S1i—Au1—S2—C5 | 178.74 (10) | C3—N2—C1—N1 | −0.1 (7) |
S2—Au1—S1i—C1i | 3.55 (11) | C5—N3—C6—C7 | 0.6 (7) |
S1i—Au1—S2i—C5i | 1.26 (10) | C6—N3—C5—S2 | −178.0 (5) |
S2i—Au1—S1i—C1i | −176.45 (11) | C6—N3—C5—N4 | −0.9 (7) |
Au1—S1—C1—N1 | 93.7 (5) | C8—N3—C5—S2 | 4.6 (10) |
Au1—S1—C1—N2 | −90.4 (5) | C8—N3—C5—N4 | −178.2 (7) |
Au1—S2—C5—N3 | −92.5 (5) | C8—N3—C6—C7 | 178.0 (7) |
Au1—S2—C5—N4 | 90.9 (5) | C5—N4—C7—C6 | −0.4 (8) |
C1—N1—C2—C3 | −0.0 (7) | C7—N4—C5—S2 | 177.9 (5) |
C2—N1—C1—S1 | 176.7 (5) | C7—N4—C5—N3 | 0.8 (7) |
C2—N1—C1—N2 | 0.1 (7) | N1—C2—C3—N2 | −0.0 (8) |
C4—N1—C1—S1 | −6.0 (10) | N3—C6—C7—N4 | −0.1 (8) |
Symmetry codes: (i) −x+2, −y+2, −z+2; (ii) −x+1, −y+1, −z+1; (iii) x−1, y−1, z; (iv) −x+2, −y+1, −z+1; (v) −x+3, −y+2, −z+2; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+2, −z+1; (ix) −x+2, −y+2, −z+1; (x) −x+2, −y+1, −z+2; (xi) x, y−1, z; (xii) x, y+1, z; (xiii) x+1, y+1, z; (xiv) −x+1, −y+1, −z+2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H1···Cl3 | 0.88 | 2.06 | 2.927 (7) | 170 |
N4—H5···Cl2 | 0.88 | 2.08 | 2.944 (9) | 166 |
N4—H5···O2 | 0.88 | 1.79 | 2.67 (5) | 174 |