Information card for entry 2225275

Structure parameters

• Chemical name: <i>N</i>'-[1-(4-Aminophenyl)ethyl]pyrazine-2-carbohydrazide
• Formula: C13 H13 N5 O
• Calculated formula: C13 H13 N5 O
• SMILES: Nc1ccc(cc1)/C(=N/NC(=O)c1cnccn1)C
• Title of publication: <i>N</i>'-[1-(4-Aminophenyl)ethyl]pyrazine-2-carbohydrazide
• Authors of publication: Xing, Zhi-Yong; Yu, De-Cheng; Li, Lai-Jun; Liu, Hai-Yan; Zhang, Jian-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o544
• a: 6.9783 ± 0.0013 Å
• b: 10.689 ± 0.003 Å
• c: 17.061 ± 0.005 Å
• α: 106.971 ± 0.01°
• β: 98.499 ± 0.004°
• γ: 90.174 ± 0.014°
• Cell volume: 1202.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes