Information card for entry 8102359

Structure parameters

• Formula: C9 H12 N2 O S
• Calculated formula: C9 H12 N2 O S
• SMILES: s1cccc1/C(=N/NC(=O)CC)C
• Title of publication: Crystal structure of N'-(acetylthiophene)propionylhydrazine, C9H12N2OS
• Authors of publication: Huan-Mei Guo; Fang-Fang Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 509
• a: 4.1595 ± 0.0006 Å
• b: 19.139 ± 0.003 Å
• c: 12.6545 ± 0.0018 Å
• α: 90°
• β: 97.072 ± 0.002°
• γ: 90°
• Cell volume: 999.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No