Information card for entry 8103228

Structure parameters

• Formula: C7 H11 N3 O
• Calculated formula: C7 H11 N3 O
• SMILES: O=C(NN)c1[nH]cc(c1C)C
• Title of publication: Crystal structure of 3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C7H11N3O
• Authors of publication: Yu-Mei Chen; Zhao-Po Zhang; Xue-Yong Huang; Xiang-Nan Li; Yuan Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 529
• a: 6.7187 ± 0.0012 Å
• b: 7.5251 ± 0.0014 Å
• c: 8.1056 ± 0.0014 Å
• α: 95.192 ± 0.002°
• β: 100.502 ± 0.003°
• γ: 100.555 ± 0.003°
• Cell volume: 392.86 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No