Information card for entry 2216791

Structure parameters

• Chemical name: 4-(Phenylhydrazonomethyl)benzonitrile
• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: N(=C/c1ccc(cc1)C#N)\Nc1ccccc1
• Title of publication: 4-(Phenylhydrazonomethyl)benzonitrile
• Authors of publication: Wang, Guo-Xi; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4750 - o4750
• a: 7.1442 ± 0.0014 Å
• b: 11.147 ± 0.002 Å
• c: 14.726 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes