Information card for entry 2235699

Structure parameters

• Chemical name: 2-[4-(Azidomethyl)phenyl]benzonitrile
• Formula: C14 H10 N4
• Calculated formula: C14 H10 N4
• SMILES: c1(c2ccccc2C#N)ccc(cc1)CN=N#N
• Title of publication: 2-[4-(Azidomethyl)phenyl]benzonitrile
• Authors of publication: Peng, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2297
• a: 8.0763 ± 0.0016 Å
• b: 8.2183 ± 0.0016 Å
• c: 10.116 ± 0.002 Å
• α: 76.22 ± 0.03°
• β: 69.36 ± 0.03°
• γ: 85.94 ± 0.03°
• Cell volume: 610.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes