Information card for entry 2212944

Structure parameters

• Chemical name: (Z)-Methyl 3-[1-(thiazol-2-yl)ethylidene]dithiocarbazate
• Formula: C7 H9 N3 S3
• Calculated formula: C7 H9 N3 S3
• SMILES: s1c(ncc1)/C(=N\NC(=S)SC)C
• Title of publication: Methyl 3-[(<i>Z</i>)-1-(thiazol-2-yl)ethylidene]dithiocarbazate
• Authors of publication: Zhong-Yuan Chen; Guo-Qiang Wu; Fen-Xiang Jiang; Yu-Liang Tian; Shang Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1919 - o1920
• a: 7.7042 ± 0.0007 Å
• b: 9.3628 ± 0.0008 Å
• c: 14.8665 ± 0.0012 Å
• α: 90°
• β: 105.536 ± 0.012°
• γ: 90°
• Cell volume: 1033.18 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes