Information card for entry 2202251

Structure parameters

• Chemical name: N-[N-(Furan-2-carbonyl)-hydrazinocarbothioyl]-benzamide
• Formula: C13 H11 N3 O3 S
• Calculated formula: C13 H11 N3 O3 S
• SMILES: S=C(NC(=O)c1ccccc1)NNC(=O)c1occc1
• Title of publication: <i>N</i>-[<i>N</i>-(Furan-2-carbonyl)hydrazinothiocarbonyl]benzamide
• Authors of publication: Bohari M. Yamin; M. Sukeri M. Yusof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o124 - o126
• a: 12.7902 ± 0.0014 Å
• b: 7.5505 ± 0.0008 Å
• c: 13.9952 ± 0.0015 Å
• α: 90°
• β: 90.375 ± 0.002°
• γ: 90°
• Cell volume: 1351.5 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• 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: 0.057
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes