Information card for entry 2238598

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide
• Formula: C13 H10 Cl N3 O3 S
• Calculated formula: C13 H10 Cl N3 O3 S
• SMILES: S=C(NC(=O)c1cccc(c1)Cl)NNC(=O)c1ccco1
• Title of publication: 3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide
• Authors of publication: Yamin, Bohari M.; Yusof, Diyana; Hasbullah, Siti Aishah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1567
• a: 7.286 ± 0.004 Å
• b: 15.148 ± 0.008 Å
• c: 25.84 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No