Information card for entry 1551579

Structure parameters

• Formula: C9 H12 N2 S3
• Calculated formula: C9 H12 N2 S3
• SMILES: s1cccc1/C(=N/NC(=S)SC)CC
• Title of publication: Crystal Structure of Methyl-<i>N</i>′-[1-(thiophen-2-yl)propylidene]hydrazinecarbodithioate
• Authors of publication: OSMAN, Uwaisulqarni M.; TAHIR, M. Ibrahim M.; CROUSE, Karen A.; RAVOOF, Thahira Begum S. A.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 57
• a: 10.178 ± 0.003 Å
• b: 13.357 ± 0.004 Å
• c: 8.845 ± 0.003 Å
• α: 90°
• β: 98.613 ± 0.005°
• γ: 90°
• Cell volume: 1188.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No