Information card for entry 2006603

Structure parameters

• Formula: C13 H10 N4 O3
• Calculated formula: C13 H10 N4 O3
• SMILES: O=C(N/N=C/c1ccc(N(=O)=O)cc1)c1ccncc1
• Title of publication: <i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone
• Authors of publication: Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1452 - 1454
• a: 7.957 ± 0.001 Å
• b: 10.677 ± 0.001 Å
• c: 14.909 ± 0.002 Å
• α: 90°
• β: 100.51 ± 0.01°
• γ: 90°
• Cell volume: 1245.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0719
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.1034
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No