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In the title complex, [Sn(C
6H
5)
2(C
10H
16NS
2)Cl], the Sn atom has a distorted trigonal–bipyramidal geometry, with an axial S—Sn—Cl bond angle of 156.87 (3)°. Intramolecular hydrogen bonding is present between an S atom and the H atom of the amine group. The molecules are linked by an intermolecular C—H
Cl hydrogen bond to form chains extending in the
c direction.
Supporting information
CCDC reference: 633970
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.007 Å
- R factor = 0.027
- wR factor = 0.089
- Data-to-parameter ratio = 17.2
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.92
| Author Response: ...Using the Stoe IPDS Mark1 machine with a triclinic crystal
|
a small fraction of the Ewald sphere is inaccessible.
However, this does not appear to have a significant effect if one compares
the bond distances and angles in the complex with those observed in
similar complexes in the litterature.
Alert level C
ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
Tmin and Tmax reported: 0.607 0.812
Tmin(prime) and Tmax expected: 0.489 0.573
RR(prime) = 0.874
Please check that your absorption correction is appropriate.
CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.'s by > 2
Calculated cell volume su = 22.51
Cell volume su given = 19.00
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.91
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.85
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.70
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 1100 Deg.
PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 - C22 .. 6.48 su
Alert level G
ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be
replaced by the scaled T values. Since the ratio of scaled T's
is identical to the ratio of reported T values, the scaling
does not imply a change to the absorption corrections used in
the study.
Ratio of Tmax expected/reported 0.705
Tmax scaled 0.573 Tmin scaled 0.428
1 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
7 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 ALERT type 2 Indicator that the structure model may be wrong or deficient
5 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
Please specify the role of each of the co-authors
for your paper.
| Author Response: ... This work is done by the collaboration of two groups.
|
1 ALERT level A = Data missing that is essential or data in wrong format
0 ALERT level G = General alerts. Data that may be required is missing
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: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.
[2-(Butylamino)cyclopent-1-ene-1-carbodithioato)chlorodiphenyltin(IV)
top
Crystal data top
[Sn(C6H5)2(C10H16NS2)Cl] | Z = 2 |
Mr = 522.70 | F(000) = 528 |
Triclinic, P1 | Dx = 1.487 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.4881 (9) Å | Cell parameters from 7998 reflections |
b = 11.0779 (10) Å | θ = 2.2–25.9° |
c = 12.1896 (12) Å | µ = 1.39 mm−1 |
α = 106.457 (11)° | T = 173 K |
β = 104.555 (11)° | Block, yellow |
γ = 96.053 (11)° | 0.50 × 0.40 × 0.40 mm |
V = 1167.57 (19) Å3 | |
Data collection top
Stoe IPDS diffractometer | 4133 independent reflections |
Radiation source: fine-focus sealed tube | 3825 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
Detector resolution: 0.81Å pixels mm-1 | θmax = 25.9°, θmin = 2.5° |
φ scans | h = −11→10 |
Absorption correction: multi-scan (MULABS in PLATON; Spek, 2003) | k = −13→13 |
Tmin = 0.607, Tmax = 0.812 | l = −14→14 |
8018 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)] = 0.028 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H-atom parameters constrained |
S = 1.16 | w = 1/[σ2(Fo2) + (0.0353P)2 + 2.4792P] where P = (Fo2 + 2Fc2)/3 |
4133 reflections | (Δ/σ)max = 0.001 |
240 parameters | Δρmax = 0.98 e Å−3 |
0 restraints | Δρmin = −1.17 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 | |
C1 | −0.1014 (4) | 0.7518 (4) | 0.6905 (3) | 0.0296 (6) | |
C2 | −0.1691 (4) | 0.6598 (4) | 0.5802 (4) | 0.0369 (9) | |
H2A | −0.1107 | 0.6093 | 0.5403 | 0.044* | |
C3 | −0.3212 (5) | 0.6396 (5) | 0.5266 (5) | 0.0535 (12) | |
H3A | −0.3661 | 0.5755 | 0.4511 | 0.064* | |
C4 | −0.4061 (5) | 0.7130 (6) | 0.5834 (5) | 0.0621 (15) | |
H4A | −0.5101 | 0.6990 | 0.5474 | 0.074* | |
C5 | −0.3407 (6) | 0.8066 (6) | 0.6924 (5) | 0.0629 (16) | |
H5A | −0.4000 | 0.8572 | 0.7310 | 0.075* | |
C6 | −0.1882 (5) | 0.8278 (5) | 0.7468 (4) | 0.0448 (11) | |
H6A | −0.1436 | 0.8934 | 0.8215 | 0.054* | |
C7 | 0.2741 (4) | 0.9572 (4) | 0.8403 (3) | 0.0296 (6) | |
C8 | 0.2875 (6) | 1.0486 (5) | 0.9486 (4) | 0.0570 (13) | |
H8A | 0.2334 | 1.0293 | 0.9993 | 0.068* | |
C9 | 0.3783 (7) | 1.1676 (5) | 0.9844 (5) | 0.0642 (15) | |
H9A | 0.3860 | 1.2291 | 1.0591 | 0.077* | |
C10 | 0.4570 (5) | 1.1967 (5) | 0.9126 (5) | 0.0510 (12) | |
H10A | 0.5192 | 1.2784 | 0.9370 | 0.061* | |
C11 | 0.4456 (5) | 1.1073 (5) | 0.8050 (5) | 0.0543 (12) | |
H11A | 0.5001 | 1.1272 | 0.7548 | 0.065* | |
C12 | 0.3546 (5) | 0.9878 (5) | 0.7692 (4) | 0.0424 (10) | |
H12A | 0.3480 | 0.9264 | 0.6948 | 0.051* | |
C13 | 0.1570 (4) | 0.6669 (4) | 0.9878 (3) | 0.0288 (8) | |
C14 | 0.1887 (4) | 0.6103 (4) | 1.0764 (3) | 0.0288 (8) | |
C15 | 0.1612 (4) | 0.6504 (4) | 1.1891 (3) | 0.0358 (9) | |
C16 | 0.2188 (5) | 0.5675 (5) | 1.2626 (4) | 0.0453 (11) | |
H16B | 0.1366 | 0.5052 | 1.2635 | 0.054* | |
H16A | 0.2739 | 0.6203 | 1.3459 | 0.054* | |
C17 | 0.3212 (6) | 0.4992 (6) | 1.1991 (4) | 0.0568 (13) | |
H17B | 0.3188 | 0.4117 | 1.2051 | 0.068* | |
H17A | 0.4246 | 0.5475 | 1.2345 | 0.068* | |
C18 | 0.2615 (5) | 0.4935 (4) | 1.0684 (4) | 0.0390 (9) | |
H18B | 0.3430 | 0.4986 | 1.0317 | 0.047* | |
H18A | 0.1884 | 0.4135 | 1.0209 | 0.047* | |
C19 | 0.0545 (7) | 0.7843 (5) | 1.3418 (4) | 0.0581 (14) | |
H19A | 0.0866 | 0.7246 | 1.3872 | 0.070* | |
C20 | 0.1367 (7) | 0.9137 (6) | 1.4133 (5) | 0.0670 (16) | |
H20B | 0.1147 | 0.9378 | 1.4911 | 0.080* | |
H20A | 0.1009 | 0.9743 | 1.3715 | 0.080* | |
C21 | 0.3002 (7) | 0.9282 (7) | 1.4364 (5) | 0.0712 (16) | |
H21A | 0.3239 | 0.9127 | 1.3604 | 0.107* | |
H21B | 0.3364 | 0.8662 | 1.4748 | 0.107* | |
H21C | 0.3481 | 1.0153 | 1.4891 | 0.107* | |
C22 | −0.1182 (6) | 0.7713 (6) | 1.3140 (5) | 0.0609 (14) | |
H22C | −0.1436 | 0.7989 | 1.3892 | 0.091* | |
H22B | −0.1660 | 0.6817 | 1.2700 | 0.091* | |
H22A | −0.1528 | 0.8252 | 1.2654 | 0.091* | |
N1 | 0.0919 (5) | 0.7438 (4) | 1.2269 (3) | 0.0492 (10) | |
H1 | 0.0643 | 0.7877 | 1.1780 | 0.059* | |
S1 | 0.07650 (11) | 0.80017 (10) | 0.99417 (8) | 0.0340 (2) | |
S2 | 0.20321 (10) | 0.60052 (10) | 0.85539 (8) | 0.0314 (2) | |
Cl1 | 0.20539 (11) | 0.67447 (10) | 0.60336 (8) | 0.0372 (2) | |
Sn1 | 0.12866 (2) | 0.77481 (2) | 0.780576 (19) | 0.02534 (10) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.0317 (13) | 0.0330 (17) | 0.0281 (12) | 0.0090 (10) | 0.0101 (10) | 0.0137 (11) |
C2 | 0.037 (2) | 0.037 (3) | 0.037 (2) | 0.0078 (16) | 0.0072 (16) | 0.0140 (17) |
C3 | 0.038 (2) | 0.064 (4) | 0.052 (3) | 0.002 (2) | 0.000 (2) | 0.022 (2) |
C4 | 0.031 (2) | 0.095 (5) | 0.075 (4) | 0.014 (2) | 0.010 (2) | 0.053 (3) |
C5 | 0.048 (3) | 0.101 (5) | 0.071 (3) | 0.045 (3) | 0.032 (3) | 0.052 (3) |
C6 | 0.050 (2) | 0.056 (3) | 0.039 (2) | 0.028 (2) | 0.0208 (19) | 0.021 (2) |
C7 | 0.0317 (13) | 0.0330 (17) | 0.0281 (12) | 0.0090 (10) | 0.0101 (10) | 0.0137 (11) |
C8 | 0.088 (4) | 0.044 (3) | 0.037 (2) | −0.006 (2) | 0.031 (2) | 0.005 (2) |
C9 | 0.094 (4) | 0.041 (3) | 0.042 (3) | −0.008 (3) | 0.019 (3) | −0.001 (2) |
C10 | 0.040 (2) | 0.037 (3) | 0.064 (3) | −0.0038 (18) | 0.002 (2) | 0.014 (2) |
C11 | 0.043 (2) | 0.052 (3) | 0.072 (3) | 0.000 (2) | 0.031 (2) | 0.017 (3) |
C12 | 0.040 (2) | 0.044 (3) | 0.044 (2) | 0.0045 (18) | 0.0217 (18) | 0.0093 (19) |
C13 | 0.0279 (17) | 0.033 (2) | 0.0237 (16) | 0.0014 (14) | 0.0059 (13) | 0.0089 (15) |
C14 | 0.0341 (18) | 0.024 (2) | 0.0278 (17) | 0.0035 (14) | 0.0067 (14) | 0.0111 (15) |
C15 | 0.044 (2) | 0.038 (3) | 0.0284 (18) | 0.0067 (17) | 0.0086 (16) | 0.0175 (17) |
C16 | 0.062 (3) | 0.047 (3) | 0.036 (2) | 0.014 (2) | 0.0121 (19) | 0.027 (2) |
C17 | 0.070 (3) | 0.067 (4) | 0.047 (3) | 0.034 (3) | 0.015 (2) | 0.034 (3) |
C18 | 0.046 (2) | 0.035 (3) | 0.040 (2) | 0.0121 (17) | 0.0111 (17) | 0.0189 (18) |
C19 | 0.100 (4) | 0.056 (4) | 0.040 (2) | 0.032 (3) | 0.037 (3) | 0.026 (2) |
C20 | 0.102 (5) | 0.061 (4) | 0.050 (3) | 0.030 (3) | 0.036 (3) | 0.019 (3) |
C21 | 0.075 (4) | 0.081 (5) | 0.051 (3) | −0.001 (3) | 0.020 (3) | 0.015 (3) |
C22 | 0.071 (3) | 0.072 (4) | 0.058 (3) | 0.033 (3) | 0.035 (3) | 0.028 (3) |
N1 | 0.087 (3) | 0.050 (3) | 0.0316 (18) | 0.033 (2) | 0.0301 (19) | 0.0265 (17) |
S1 | 0.0511 (6) | 0.0366 (6) | 0.0260 (4) | 0.0197 (4) | 0.0197 (4) | 0.0165 (4) |
S2 | 0.0397 (5) | 0.0307 (6) | 0.0246 (4) | 0.0109 (4) | 0.0103 (4) | 0.0081 (4) |
Cl1 | 0.0433 (5) | 0.0439 (6) | 0.0251 (4) | 0.0102 (4) | 0.0174 (4) | 0.0052 (4) |
Sn1 | 0.02990 (14) | 0.02902 (18) | 0.01925 (13) | 0.00717 (9) | 0.00978 (9) | 0.00827 (10) |
Geometric parameters (Å, º) top
C1—C2 | 1.382 (6) | C14—C18 | 1.521 (6) |
C1—C6 | 1.401 (6) | C15—N1 | 1.318 (6) |
C1—Sn1 | 2.134 (4) | C15—C16 | 1.507 (5) |
C2—C3 | 1.391 (6) | C16—C17 | 1.523 (7) |
C2—H2A | 0.9500 | C16—H16B | 0.9900 |
C3—C4 | 1.374 (8) | C16—H16A | 0.9900 |
C3—H3A | 0.9500 | C17—C18 | 1.531 (6) |
C4—C5 | 1.376 (9) | C17—H17B | 0.9900 |
C4—H4A | 0.9500 | C17—H17A | 0.9900 |
C5—C6 | 1.395 (7) | C18—H18B | 0.9900 |
C5—H5A | 0.9500 | C18—H18A | 0.9900 |
C6—H6A | 0.9500 | C19—C20 | 1.462 (8) |
C7—C12 | 1.376 (5) | C19—N1 | 1.489 (5) |
C7—C8 | 1.384 (6) | C19—C22 | 1.569 (8) |
C7—Sn1 | 2.143 (4) | C19—H19A | 1.0000 |
C8—C9 | 1.385 (7) | C20—C21 | 1.489 (8) |
C8—H8A | 0.9500 | C20—H20B | 0.9900 |
C9—C10 | 1.366 (7) | C20—H20A | 0.9900 |
C9—H9A | 0.9500 | C21—H21A | 0.9800 |
C10—C11 | 1.372 (7) | C21—H21B | 0.9800 |
C10—H10A | 0.9500 | C21—H21C | 0.9800 |
C11—C12 | 1.389 (7) | C22—H22C | 0.9800 |
C11—H11A | 0.9500 | C22—H22B | 0.9800 |
C12—H12A | 0.9500 | C22—H22A | 0.9800 |
C13—C14 | 1.383 (5) | N1—H1 | 0.8800 |
C13—S1 | 1.724 (4) | S1—Sn1 | 2.7139 (9) |
C13—S2 | 1.757 (4) | S2—Sn1 | 2.4538 (10) |
C14—C15 | 1.418 (5) | Cl1—Sn1 | 2.4562 (9) |
| | | |
C2—C1—C6 | 118.8 (4) | C16—C17—C18 | 105.3 (4) |
C2—C1—Sn1 | 121.9 (3) | C16—C17—H17B | 110.7 |
C6—C1—Sn1 | 119.3 (3) | C18—C17—H17B | 110.7 |
C1—C2—C3 | 121.2 (4) | C16—C17—H17A | 110.7 |
C1—C2—H2A | 119.4 | C18—C17—H17A | 110.7 |
C3—C2—H2A | 119.4 | H17B—C17—H17A | 108.8 |
C4—C3—C2 | 119.7 (5) | C14—C18—C17 | 103.7 (4) |
C4—C3—H3A | 120.2 | C14—C18—H18B | 111.0 |
C2—C3—H3A | 120.2 | C17—C18—H18B | 111.0 |
C3—C4—C5 | 120.1 (4) | C14—C18—H18A | 111.0 |
C3—C4—H4A | 119.9 | C17—C18—H18A | 111.0 |
C5—C4—H4A | 119.9 | H18B—C18—H18A | 109.0 |
C4—C5—C6 | 120.7 (5) | C20—C19—N1 | 109.5 (4) |
C4—C5—H5A | 119.7 | C20—C19—C22 | 113.7 (5) |
C6—C5—H5A | 119.7 | N1—C19—C22 | 109.0 (4) |
C5—C6—C1 | 119.5 (5) | C20—C19—H19A | 108.2 |
C5—C6—H6A | 120.2 | N1—C19—H19A | 108.2 |
C1—C6—H6A | 120.2 | C22—C19—H19A | 108.2 |
C12—C7—C8 | 118.0 (4) | C19—C20—C21 | 114.1 (5) |
C12—C7—Sn1 | 120.2 (3) | C19—C20—H20B | 108.7 |
C8—C7—Sn1 | 121.8 (3) | C21—C20—H20B | 108.7 |
C7—C8—C9 | 121.2 (4) | C19—C20—H20A | 108.7 |
C7—C8—H8A | 119.4 | C21—C20—H20A | 108.7 |
C9—C8—H8A | 119.4 | H20B—C20—H20A | 107.6 |
C10—C9—C8 | 120.1 (5) | C20—C21—H21A | 109.5 |
C10—C9—H9A | 119.9 | C20—C21—H21B | 109.5 |
C8—C9—H9A | 119.9 | H21A—C21—H21B | 109.5 |
C9—C10—C11 | 119.6 (5) | C20—C21—H21C | 109.5 |
C9—C10—H10A | 120.2 | H21A—C21—H21C | 109.5 |
C11—C10—H10A | 120.2 | H21B—C21—H21C | 109.5 |
C10—C11—C12 | 120.3 (4) | C19—C22—H22C | 109.5 |
C10—C11—H11A | 119.9 | C19—C22—H22B | 109.5 |
C12—C11—H11A | 119.9 | H22C—C22—H22B | 109.5 |
C7—C12—C11 | 120.8 (4) | C19—C22—H22A | 109.5 |
C7—C12—H12A | 119.6 | H22C—C22—H22A | 109.5 |
C11—C12—H12A | 119.6 | H22B—C22—H22A | 109.5 |
C14—C13—S1 | 126.1 (3) | C15—N1—C19 | 128.3 (4) |
C14—C13—S2 | 118.5 (3) | C15—N1—H1 | 115.9 |
S1—C13—S2 | 115.5 (2) | C19—N1—H1 | 115.9 |
C13—C14—C15 | 126.7 (4) | C13—S1—Sn1 | 83.73 (12) |
C13—C14—C18 | 124.7 (3) | C13—S2—Sn1 | 91.38 (13) |
C15—C14—C18 | 108.5 (3) | C1—Sn1—C7 | 121.10 (14) |
N1—C15—C14 | 126.8 (3) | C1—Sn1—S2 | 116.28 (11) |
N1—C15—C16 | 122.9 (4) | C7—Sn1—S2 | 120.92 (10) |
C14—C15—C16 | 110.3 (4) | C1—Sn1—Cl1 | 97.18 (10) |
C15—C16—C17 | 103.9 (3) | C7—Sn1—Cl1 | 97.93 (10) |
C15—C16—H16B | 111.0 | S2—Sn1—Cl1 | 87.67 (3) |
C17—C16—H16B | 111.0 | C1—Sn1—S1 | 92.31 (10) |
C15—C16—H16A | 111.0 | C7—Sn1—S1 | 95.10 (10) |
C17—C16—H16A | 111.0 | S2—Sn1—S1 | 69.22 (3) |
H16B—C16—H16A | 109.0 | Cl1—Sn1—S1 | 156.87 (3) |
| | | |
C6—C1—C2—C3 | −1.7 (6) | C14—C15—N1—C19 | 176.7 (5) |
Sn1—C1—C2—C3 | 175.2 (3) | C16—C15—N1—C19 | −1.3 (8) |
C1—C2—C3—C4 | 0.5 (7) | C20—C19—N1—C15 | 114.8 (6) |
C2—C3—C4—C5 | 0.5 (8) | C22—C19—N1—C15 | −120.3 (5) |
C3—C4—C5—C6 | −0.3 (8) | C14—C13—S1—Sn1 | 175.1 (3) |
C4—C5—C6—C1 | −0.9 (8) | S2—C13—S1—Sn1 | −4.19 (18) |
C2—C1—C6—C5 | 1.9 (6) | C14—C13—S2—Sn1 | −174.8 (3) |
Sn1—C1—C6—C5 | −175.2 (4) | S1—C13—S2—Sn1 | 4.61 (19) |
C12—C7—C8—C9 | 0.4 (8) | C2—C1—Sn1—C7 | 126.1 (3) |
Sn1—C7—C8—C9 | −178.0 (4) | C6—C1—Sn1—C7 | −57.0 (4) |
C7—C8—C9—C10 | −0.1 (9) | C2—C1—Sn1—S2 | −68.6 (3) |
C8—C9—C10—C11 | −0.1 (9) | C6—C1—Sn1—S2 | 108.3 (3) |
C9—C10—C11—C12 | 0.0 (8) | C2—C1—Sn1—Cl1 | 22.3 (3) |
C8—C7—C12—C11 | −0.6 (7) | C6—C1—Sn1—Cl1 | −160.8 (3) |
Sn1—C7—C12—C11 | 177.9 (4) | C2—C1—Sn1—S1 | −136.5 (3) |
C10—C11—C12—C7 | 0.4 (8) | C6—C1—Sn1—S1 | 40.4 (3) |
S1—C13—C14—C15 | 0.1 (6) | C12—C7—Sn1—C1 | −94.3 (3) |
S2—C13—C14—C15 | 179.4 (3) | C8—C7—Sn1—C1 | 84.1 (4) |
S1—C13—C14—C18 | −179.3 (3) | C12—C7—Sn1—S2 | 101.1 (3) |
S2—C13—C14—C18 | 0.1 (5) | C8—C7—Sn1—S2 | −80.5 (4) |
C13—C14—C15—N1 | 4.7 (7) | C12—C7—Sn1—Cl1 | 9.1 (3) |
C18—C14—C15—N1 | −175.9 (4) | C8—C7—Sn1—Cl1 | −172.6 (4) |
C13—C14—C15—C16 | −177.1 (4) | C12—C7—Sn1—S1 | 169.9 (3) |
C18—C14—C15—C16 | 2.3 (5) | C8—C7—Sn1—S1 | −11.7 (4) |
N1—C15—C16—C17 | −166.2 (5) | C13—S2—Sn1—C1 | −84.82 (16) |
C14—C15—C16—C17 | 15.5 (5) | C13—S2—Sn1—C7 | 80.48 (16) |
C15—C16—C17—C18 | −26.9 (5) | C13—S2—Sn1—Cl1 | 178.32 (12) |
C13—C14—C18—C17 | 160.4 (4) | C13—S2—Sn1—S1 | −2.83 (12) |
C15—C14—C18—C17 | −19.0 (5) | C13—S1—Sn1—C1 | 120.20 (16) |
C16—C17—C18—C14 | 28.2 (5) | C13—S1—Sn1—C7 | −118.30 (15) |
N1—C19—C20—C21 | −55.6 (6) | C13—S1—Sn1—S2 | 2.90 (12) |
C22—C19—C20—C21 | −177.8 (4) | C13—S1—Sn1—Cl1 | 5.83 (16) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···S1 | 0.88 | 2.31 | 3.045 (3) | 141 |
C19—H19A···Cl1i | 1.00 | 2.83 | 3.737 (5) | 152 |
Symmetry code: (i) x, y, z+1. |
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