Information card for entry 2236252

Structure parameters

• Chemical name: 2-Cyclopentylidenehydrazinecarboxamide
• Formula: C6 H11 N3 O
• Calculated formula: C6 H11 N3 O
• SMILES: O=C(NN=C1CCCC1)N
• Title of publication: 2-Cyclopentylidenehydrazinecarboxamide
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Padaki, Mahesh; Isloor, Arun M.; Isloor, Nishitha A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2675 - o2676
• a: 8.9507 ± 0.0001 Å
• b: 10.7929 ± 0.0002 Å
• c: 15.0204 ± 0.0002 Å
• α: 90°
• β: 95.126 ± 0.001°
• γ: 90°
• Cell volume: 1445.23 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes