Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270101016870/sk1502sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270101016870/sk1502Isup2.hkl |
CCDC reference: 162864
The title compound was synthesized by mixing a solution of copper(II) chloride dihydrate (1 mmol) in methanol (10 ml) with a solution of the ligand 2-methyl-2-thiazoline (4 mmol) in methanol (5 ml), the reaction being at 291 K. The light brown solution, was left overnight at 291 K, forming brown rhombic crystals.
For one atom, C(7), the ratio of maximum/minimum principal r.m.s. atomic displacements was found fairly large (5.54), indicating possible disorder. An attempt, however, to refine C7 as a split atom proved unsuccessful. Hence, its anisotropic displacement parameters were retained, since the refinement converged smoothly, leading to chemically reasonable positions for all atoms. The H atoms were placed geometrically at their ideal positions and allowed to ride with isotropic displacement parameters equal to 1.2 Ueq of the parent atoms. An extinction correction was deemed as not necessary. Some geometrical calculations were performed with the Xtal 3.2 package (Hall et al., 1992).
Data collection: DIF4 (Stoe & Cie, 1988); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1988); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Bergerhoff, 1996); software used to prepare material for publication: SHELXL97.
C16H28Cl6Cu4N4OS4 | F(000) = 1768 |
Mr = 887.52 | Dx = 1.872 Mg m−3 Dm = 1.87 Mg m−3 Dm measured by flotation in a mixture of CCl4/CH3I |
Orthorhombic, Pbcn | Mo Kα radiation, λ = 0.71070 Å |
Hall symbol: -P 2n 2ab | Cell parameters from 15 reflections |
a = 10.3705 (18) Å | θ = 8.2–11.5° |
b = 14.903 (2) Å | µ = 3.46 mm−1 |
c = 20.375 (4) Å | T = 293 K |
V = 3148.9 (9) Å3 | Plate, brown |
Z = 4 | 0.23 × 0.13 × 0.04 mm |
Upgraded Philips PW1100 diffractometer | 1273 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.101 |
Graphite monochromator | θmax = 25.0°, θmin = 2.4° |
θ/2θ scans | h = −12→12 |
Absorption correction: ψ-scan EMPIR (Stoe & Cie, 1988) | k = −17→17 |
Tmin = 0.448, Tmax = 0.652 | l = 0→24 |
5588 measured reflections | 3 standard reflections every 120 min |
2775 independent reflections | intensity decay: 10% |
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)] = 0.064 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.127 | H-atom parameters constrained |
S = 0.90 | w = 1/[σ2(Fo2) + (0.054P)2] where P = (Fo2 + 2Fc2)/3 |
2775 reflections | (Δ/σ)max = 0.020 |
162 parameters | Δρmax = 0.71 e Å−3 |
0 restraints | Δρmin = −0.60 e Å−3 |
C16H28Cl6Cu4N4OS4 | V = 3148.9 (9) Å3 |
Mr = 887.52 | Z = 4 |
Orthorhombic, Pbcn | Mo Kα radiation |
a = 10.3705 (18) Å | µ = 3.46 mm−1 |
b = 14.903 (2) Å | T = 293 K |
c = 20.375 (4) Å | 0.23 × 0.13 × 0.04 mm |
Upgraded Philips PW1100 diffractometer | 1273 reflections with I > 2σ(I) |
Absorption correction: ψ-scan EMPIR (Stoe & Cie, 1988) | Rint = 0.101 |
Tmin = 0.448, Tmax = 0.652 | 3 standard reflections every 120 min |
5588 measured reflections | intensity decay: 10% |
2775 independent reflections |
R[F2 > 2σ(F2)] = 0.064 | 0 restraints |
wR(F2) = 0.127 | H-atom parameters constrained |
S = 0.90 | Δρmax = 0.71 e Å−3 |
2775 reflections | Δρmin = −0.60 e Å−3 |
162 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.2640 (8) | 0.3495 (6) | 0.4212 (4) | 0.035 (2) | |
C2 | 0.2378 (9) | 0.4632 (6) | 0.3483 (5) | 0.050 (3) | |
H2A | 0.1611 | 0.4964 | 0.3360 | 0.060* | |
H2B | 0.2925 | 0.4581 | 0.3099 | 0.060* | |
C3 | 0.3096 (9) | 0.5138 (6) | 0.4023 (4) | 0.054 (3) | |
H3A | 0.2516 | 0.5528 | 0.4264 | 0.064* | |
H3B | 0.3789 | 0.5497 | 0.3840 | 0.064* | |
C4 | 0.2571 (9) | 0.2591 (7) | 0.4518 (5) | 0.054 (3) | |
H4A | 0.1689 | 0.2447 | 0.4614 | 0.081* | |
H4B | 0.3062 | 0.2589 | 0.4918 | 0.081* | |
H4C | 0.2918 | 0.2153 | 0.4221 | 0.081* | |
C5 | 0.3496 (10) | 0.1194 (9) | 0.1237 (5) | 0.063 (3) | |
C6 | 0.2292 (11) | −0.0072 (7) | 0.1350 (5) | 0.078 (4) | |
H6A | 0.1447 | −0.0136 | 0.1152 | 0.094* | |
H6B | 0.2317 | −0.0440 | 0.1742 | 0.094* | |
C7 | 0.3324 (15) | −0.0392 (9) | 0.0868 (6) | 0.122 (6) | |
H7A | 0.2925 | −0.0591 | 0.0463 | 0.147* | |
H7B | 0.3802 | −0.0889 | 0.1055 | 0.147* | |
C8 | 0.3933 (9) | 0.2119 (10) | 0.1308 (6) | 0.099 (5) | |
H8A | 0.3199 | 0.2510 | 0.1340 | 0.149* | |
H8B | 0.4439 | 0.2285 | 0.0932 | 0.149* | |
H8C | 0.4448 | 0.2173 | 0.1697 | 0.149* | |
Cl1 | 0.2729 (2) | 0.20436 (17) | 0.28580 (12) | 0.0534 (7) | |
Cl2 | 0.0000 | 0.4174 (2) | 0.2500 | 0.0549 (10) | |
Cl3 | 0.0000 | 0.0296 (2) | 0.2500 | 0.0483 (9) | |
Cl4 | 0.0481 (2) | 0.22807 (16) | 0.10777 (11) | 0.0457 (6) | |
N1 | 0.2014 (6) | 0.3738 (4) | 0.3710 (3) | 0.0338 (18) | |
N2 | 0.2508 (8) | 0.0859 (6) | 0.1524 (3) | 0.051 (2) | |
O1 | 0.0000 | 0.2263 (5) | 0.2500 | 0.0222 (17) | |
S1 | 0.3727 (2) | 0.42602 (17) | 0.45479 (13) | 0.0548 (7) | |
S2 | 0.4347 (4) | 0.0500 (3) | 0.07156 (19) | 0.1196 (16) | |
Cu1 | 0.09508 (9) | 0.29778 (6) | 0.31167 (5) | 0.0324 (3) | |
Cu2 | 0.12283 (9) | 0.15368 (7) | 0.20396 (5) | 0.0371 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.031 (5) | 0.042 (5) | 0.032 (5) | −0.008 (5) | 0.007 (5) | −0.009 (5) |
C2 | 0.049 (6) | 0.045 (6) | 0.057 (7) | −0.008 (5) | 0.004 (6) | −0.003 (5) |
C3 | 0.066 (7) | 0.052 (7) | 0.044 (7) | −0.013 (6) | 0.005 (6) | −0.015 (5) |
C4 | 0.043 (6) | 0.062 (7) | 0.056 (7) | 0.005 (5) | −0.021 (6) | 0.001 (5) |
C5 | 0.029 (6) | 0.114 (10) | 0.046 (7) | 0.029 (6) | −0.005 (6) | −0.010 (7) |
C6 | 0.106 (10) | 0.067 (8) | 0.062 (8) | 0.048 (7) | −0.016 (8) | −0.015 (6) |
C7 | 0.190 (16) | 0.116 (11) | 0.062 (9) | 0.133 (12) | −0.014 (10) | −0.031 (9) |
C8 | 0.026 (6) | 0.190 (16) | 0.082 (10) | −0.022 (8) | 0.015 (6) | −0.017 (10) |
Cl1 | 0.0275 (12) | 0.0781 (18) | 0.0546 (16) | 0.0097 (13) | −0.0077 (11) | −0.0240 (14) |
Cl2 | 0.078 (3) | 0.0347 (19) | 0.052 (2) | 0.000 | −0.025 (2) | 0.000 |
Cl3 | 0.045 (2) | 0.0370 (19) | 0.063 (2) | 0.000 | −0.0043 (19) | 0.000 |
Cl4 | 0.0431 (14) | 0.0592 (15) | 0.0348 (14) | 0.0112 (12) | 0.0090 (12) | 0.0010 (12) |
N1 | 0.039 (5) | 0.033 (4) | 0.029 (5) | −0.006 (4) | 0.001 (4) | −0.005 (3) |
N2 | 0.043 (5) | 0.076 (7) | 0.034 (5) | 0.030 (5) | −0.004 (5) | −0.013 (4) |
O1 | 0.018 (4) | 0.037 (4) | 0.011 (4) | 0.000 | 0.009 (3) | 0.000 |
S1 | 0.0498 (18) | 0.0566 (16) | 0.0579 (17) | −0.0109 (13) | −0.0131 (15) | −0.0107 (13) |
S2 | 0.091 (3) | 0.196 (4) | 0.071 (3) | 0.082 (3) | 0.019 (2) | −0.019 (3) |
Cu1 | 0.0304 (6) | 0.0361 (6) | 0.0308 (6) | −0.0037 (5) | −0.0005 (5) | −0.0018 (5) |
Cu2 | 0.0306 (6) | 0.0451 (6) | 0.0355 (6) | 0.0074 (5) | 0.0023 (5) | −0.0064 (5) |
C1—N1 | 1.264 (10) | C7—H7A | 0.9700 |
C1—C4 | 1.487 (11) | C7—H7B | 0.9700 |
C1—S1 | 1.743 (8) | C8—H8A | 0.9600 |
C2—N1 | 1.460 (10) | C8—H8B | 0.9600 |
C2—C3 | 1.527 (11) | C8—H8C | 0.9600 |
C2—H2A | 0.9700 | Cl1—Cu1 | 2.370 (2) |
C2—H2B | 0.9700 | Cl1—Cu2 | 2.402 (2) |
C3—S1 | 1.812 (10) | Cl2—Cu1i | 2.393 (2) |
C3—H3A | 0.9700 | Cl2—Cu1 | 2.393 (2) |
C3—H3B | 0.9700 | Cl3—Cu2i | 2.434 (3) |
C4—H4A | 0.9600 | Cl3—Cu2 | 2.434 (3) |
C4—H4B | 0.9600 | Cl4—Cu2 | 2.381 (3) |
C4—H4C | 0.9600 | Cl4—Cu1i | 2.445 (2) |
C5—N2 | 1.282 (12) | N1—Cu1 | 1.991 (7) |
C5—C8 | 1.458 (16) | N2—Cu2 | 1.972 (7) |
C5—S2 | 1.726 (11) | O1—Cu2i | 1.917 (4) |
C6—N2 | 1.448 (12) | O1—Cu2 | 1.917 (4) |
C6—C7 | 1.528 (14) | O1—Cu1 | 1.920 (4) |
C6—H6A | 0.9700 | O1—Cu1i | 1.920 (4) |
C6—H6B | 0.9700 | Cu1—Cl4i | 2.445 (2) |
C7—S2 | 1.728 (16) | ||
Cu1···Cu2 | 3.083 (1) | Cu1···Cu2i | 3.133 (1) |
Cu1···Cu1i | 3.195 (1) | Cu2···Cu2i | 3.164 (1) |
N1—C1—C4 | 125.0 (8) | H8A—C8—H8C | 109.5 |
N1—C1—S1 | 117.6 (7) | H8B—C8—H8C | 109.5 |
C4—C1—S1 | 117.3 (6) | Cu1—Cl1—Cu2 | 80.51 (8) |
N1—C2—C3 | 110.4 (8) | Cu1i—Cl2—Cu1 | 83.73 (11) |
N1—C2—H2A | 109.6 | Cu2i—Cl3—Cu2 | 81.08 (10) |
C3—C2—H2A | 109.6 | Cu2—Cl4—Cu1i | 80.96 (8) |
N1—C2—H2B | 109.6 | C1—N1—C2 | 112.6 (7) |
C3—C2—H2B | 109.6 | C1—N1—Cu1 | 127.8 (6) |
H2A—C2—H2B | 108.1 | C2—N1—Cu1 | 118.0 (5) |
C2—C3—S1 | 104.1 (6) | C5—N2—C6 | 112.7 (9) |
C2—C3—H3A | 110.9 | C5—N2—Cu2 | 125.5 (8) |
S1—C3—H3A | 110.9 | C6—N2—Cu2 | 121.2 (7) |
C2—C3—H3B | 110.9 | Cu2i—O1—Cu2 | 111.2 (3) |
S1—C3—H3B | 110.9 | Cu2i—O1—Cu1 | 109.53 (4) |
H3A—C3—H3B | 108.9 | Cu2—O1—Cu1 | 106.99 (4) |
C1—C4—H4A | 109.5 | Cu2i—O1—Cu1i | 106.99 (4) |
C1—C4—H4B | 109.5 | Cu2—O1—Cu1i | 109.53 (4) |
H4A—C4—H4B | 109.5 | Cu1—O1—Cu1i | 112.6 (3) |
C1—C4—H4C | 109.5 | C1—S1—C3 | 90.4 (4) |
H4A—C4—H4C | 109.5 | C5—S2—C7 | 92.1 (6) |
H4B—C4—H4C | 109.5 | O1—Cu1—N1 | 176.4 (2) |
N2—C5—C8 | 124.9 (10) | O1—Cu1—Cl1 | 85.88 (13) |
N2—C5—S2 | 117.1 (10) | N1—Cu1—Cl1 | 92.2 (2) |
C8—C5—S2 | 118.0 (9) | O1—Cu1—Cl2 | 81.83 (18) |
N2—C6—C7 | 110.4 (10) | N1—Cu1—Cl2 | 97.1 (2) |
N2—C6—H6A | 109.6 | Cl1—Cu1—Cl2 | 129.89 (8) |
C7—C6—H6A | 109.6 | O1—Cu1—Cl4i | 83.78 (10) |
N2—C6—H6B | 109.6 | N1—Cu1—Cl4i | 99.8 (2) |
C7—C6—H6B | 109.6 | Cl1—Cu1—Cl4i | 111.86 (10) |
H6A—C6—H6B | 108.1 | Cl2—Cu1—Cl4i | 114.74 (7) |
C6—C7—S2 | 107.8 (8) | O1—Cu2—N2 | 176.1 (3) |
C6—C7—H7A | 110.2 | O1—Cu2—Cl4 | 85.62 (11) |
S2—C7—H7A | 110.2 | N2—Cu2—Cl4 | 91.1 (2) |
C6—C7—H7B | 110.2 | O1—Cu2—Cl1 | 85.02 (8) |
S2—C7—H7B | 110.2 | N2—Cu2—Cl1 | 95.5 (2) |
H7A—C7—H7B | 108.5 | Cl4—Cu2—Cl1 | 129.46 (10) |
C5—C8—H8A | 109.5 | O1—Cu2—Cl3 | 83.85 (18) |
C5—C8—H8B | 109.5 | N2—Cu2—Cl3 | 99.7 (3) |
H8A—C8—H8B | 109.5 | Cl4—Cu2—Cl3 | 120.05 (7) |
C5—C8—H8C | 109.5 | Cl1—Cu2—Cl3 | 108.08 (7) |
Symmetry code: (i) −x, y, −z+1/2. |
Experimental details
Crystal data | |
Chemical formula | C16H28Cl6Cu4N4OS4 |
Mr | 887.52 |
Crystal system, space group | Orthorhombic, Pbcn |
Temperature (K) | 293 |
a, b, c (Å) | 10.3705 (18), 14.903 (2), 20.375 (4) |
V (Å3) | 3148.9 (9) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 3.46 |
Crystal size (mm) | 0.23 × 0.13 × 0.04 |
Data collection | |
Diffractometer | Upgraded Philips PW1100 diffractometer |
Absorption correction | ψ-scan EMPIR (Stoe & Cie, 1988) |
Tmin, Tmax | 0.448, 0.652 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5588, 2775, 1273 |
Rint | 0.101 |
(sin θ/λ)max (Å−1) | 0.594 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.064, 0.127, 0.90 |
No. of reflections | 2775 |
No. of parameters | 162 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.71, −0.60 |
Computer programs: DIF4 (Stoe & Cie, 1988), DIF4, REDU4 (Stoe & Cie, 1988), SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), DIAMOND (Bergerhoff, 1996), SHELXL97.
Cl1—Cu1 | 2.370 (2) | Cl4—Cu1i | 2.445 (2) |
Cl1—Cu2 | 2.402 (2) | N1—Cu1 | 1.991 (7) |
Cl2—Cu1 | 2.393 (2) | N2—Cu2 | 1.972 (7) |
Cl3—Cu2 | 2.434 (3) | O1—Cu2 | 1.917 (4) |
Cl4—Cu2 | 2.381 (3) | O1—Cu1 | 1.920 (4) |
Cu1···Cu2 | 3.083 (1) | Cu1···Cu2i | 3.133 (1) |
Cu1···Cu1i | 3.195 (1) | Cu2···Cu2i | 3.164 (1) |
Cu1—Cl1—Cu2 | 80.51 (8) | Cl1—Cu1—Cl2 | 129.89 (8) |
Cu1i—Cl2—Cu1 | 83.73 (11) | O1—Cu1—Cl4i | 83.78 (10) |
Cu2i—Cl3—Cu2 | 81.08 (10) | N1—Cu1—Cl4i | 99.8 (2) |
Cu2—Cl4—Cu1i | 80.96 (8) | Cl1—Cu1—Cl4i | 111.86 (10) |
Cu2i—O1—Cu2 | 111.2 (3) | Cl2—Cu1—Cl4i | 114.74 (7) |
Cu2i—O1—Cu1 | 109.53 (4) | O1—Cu2—N2 | 176.1 (3) |
Cu2—O1—Cu1 | 106.99 (4) | O1—Cu2—Cl4 | 85.62 (11) |
Cu2i—O1—Cu1i | 106.99 (4) | N2—Cu2—Cl4 | 91.1 (2) |
Cu2—O1—Cu1i | 109.53 (4) | O1—Cu2—Cl1 | 85.02 (8) |
Cu1—O1—Cu1i | 112.6 (3) | N2—Cu2—Cl1 | 95.5 (2) |
O1—Cu1—N1 | 176.4 (2) | Cl4—Cu2—Cl1 | 129.46 (10) |
O1—Cu1—Cl1 | 85.88 (13) | O1—Cu2—Cl3 | 83.85 (18) |
N1—Cu1—Cl1 | 92.2 (2) | N2—Cu2—Cl3 | 99.7 (3) |
O1—Cu1—Cl2 | 81.83 (18) | Cl4—Cu2—Cl3 | 120.05 (7) |
N1—Cu1—Cl2 | 97.1 (2) | Cl1—Cu2—Cl3 | 108.08 (7) |
Symmetry code: (i) −x, y, −z+1/2. |
Subscribe to Acta Crystallographica Section C: Structural Chemistry
The full text of this article is available to subscribers to the journal.
- Information on subscribing
- Sample issue
- Purchase subscription
- Reduced-price subscriptions
- If you have already subscribed, you may need to register
The magnetic properties and the presence to the active sites of biological systems of tetranuclear complexes of paramagnetic transition metal ions, have attracted the attention of inorganic and bioinorganic chemists for many years (Marsh et al., 1983; Halfen & Tolman, 1994). Among the ligands that allow the formation of tetranuclear copper(II) complexes are the thiazole derivatives, whose reaction products with CuCl2 have been extensively studied (Hodgson, 1984; Marsh et al., 1983, 1988). In contrast, relatively little information is known about the reaction of Cu(II) with thiazoline derivatives, which have an almost similar structure to that of thiazoles. The present study is part of a systematic investigation on the reaction products of CuCl2 and CuBr2 with thiazolines.
The molecular structure of the title compound (I), along with the atomic numbering scheme, is shown in Fig. 1, while selected bond lengths and angles are given in Table 1. Selected intramolecular contact distances are given in Table 2. The central unit Cu4OCl6 is of the same type as that found in many related complexes (Bertrand, 1967; Belford et al., 1972; Gill & Sterns, 1970; Guy et al., 1988). The four copper(II) atoms are arranged tetrahedrally around a central oxygen atom, being also bridged in pairs by chlorine atoms. Each copper atom is fivefold coordinated by three chlorine atoms, the central oxygen atom and the nitrogen atom from a 2-methyl-2-thiazoline ligand (2 m-2tzn hereafter), in an arrangement close to trigonal bipyramidal (TBP). The percentage trigonal distortion from the square pyramidal (SP) geometry of the atomic arrangements around the two independent copper atoms are τ = 77.5% and τ = 77.7% for Cu1 and Cu2, respectively [τ = 0% for ideal SP and τ = 100% for ideal TBP geometries (Addison et al., 1984)].
The cluster Cu4OCl6 has been reported to possess various point group symmetries, as for example 43m (Bertrand,1967), 2 (Belford et al.,1972) or 1 (Gill & Sterns, 1970). In the present case, it possesses the point group symmetry 2, with the twofold axis passing through Cl2, O and Cl3 (see Fig. 1). The observed bond lengths and angles in the cluster are in fair agreement with those observed in related complexes.
The two symmetrically independent 2 m-2tzn rings, being approximately perpendicular to each other [91.7 (3)°], have almost identical geometries, with most of the corresponding bond lengths and angles coinciding within the experimental error. The only significant differences appear between the bond lengths C3—S1 and C7—S2 [1.81 (1) Å and 1.73 (2) Å, respectively], and between the bond angles C2—C3—S1 and C6—C7—S2 [104.1 (6)° and 107.8 (8)°, respectively]. The two 2 m-2tzn rings differ also in the degree of planarity. Thus, while the ring attached to Cu(1) appears slightly puckered, the maximum atomic deviation from the mean plane being 0.18 (1) Å, (atom C2), the ring attached to Cu(2) is perfectly planar within the experimental error. The two bonds C1—N1 and C5—N2 of length 1.26 (1) Å and 1.28 (1) Å, respectively, are substantially shorter than the adjacent ones C2—N1 and C6–N2 of length 1.46 (1) Å and 1.45 (1) Å, respectively, indicating that the primary resonance structures in the two 2 m-2tzn rings have the double bond located between C1 and N1 and between C5 and N2, respectively. The nitrogen atoms N1 and N2 are pyramidally coordinated by C1, C2, Cu1 and C5, C6, Cu2, respectively, the corresponding deviations from their basal planes being 0.108 (8) Å and 0.07 (1) Å.
In the crystal structure of the studied compound no unusual intermolecular contact distances are observed, so that the molecular packing may be attributed to normal van der Waals interactions.