Information card for entry 2202231

Structure parameters

• Chemical name: N-(1-thiophene-2-yl-ethylidene)-hydrazinecarbodithioic acid benzyl ester
• Formula: C14 H14 N2 S3
• Calculated formula: C14 H14 N2 S3
• SMILES: S(Cc1ccccc1)C(=S)N\N=C(c1sccc1)/C
• Title of publication: Benzyl <i>N</i>-[1-(thiophen-2-yl)ethylidene)]hydrazinecarbodithioate
• Authors of publication: Chan, Mun Hoe Eddy; Crouse, Karen A.; Tarafder, M. T. H.; Yamin, Bohari. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o628 - o629
• a: 7.8297 ± 0.0013 Å
• b: 9.8086 ± 0.0016 Å
• c: 11.031 ± 0.0018 Å
• α: 65.369 ± 0.003°
• β: 75.843 ± 0.003°
• γ: 77.15 ± 0.003°
• Cell volume: 739.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes