Information card for entry 2209815

Structure parameters

• Chemical name: 1H-Benzimidazole-1-carbohydrazonamide
• Formula: C8 H9 N5
• Calculated formula: C8 H9 N5
• SMILES: c1n(c2ccccc2n1)C(N)=NN
• Title of publication: 1<i>H</i>-Benzimidazole-1-carbohydrazonamide
• Authors of publication: Sokolov, Andrey V.; Vologzhanina, Anna V.; Purygin, Petr P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3209 - o3210
• a: 7.389 ± 0.0015 Å
• b: 8.152 ± 0.0016 Å
• c: 13.66 ± 0.003 Å
• α: 90°
• β: 94.25 ± 0.03°
• γ: 90°
• Cell volume: 820.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes