Information card for entry 2200559

Structure parameters

• Chemical name: p-Phenylazoaniline Hydrochloride
• Formula: C12 H12 Cl N3
• Calculated formula: C12 H12 Cl N3
• SMILES: [Cl-].Nc1ccc([N+]Nc2ccccc2)cc1
• Title of publication: Zigzag hydrogen-bonded sheets in the structure of <i>p</i>-phenylazoaniline hydrochloride
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o839 - o841
• a: 7.3718 ± 0.0003 Å
• b: 18.5164 ± 0.0007 Å
• c: 8.9123 ± 0.0001 Å
• α: 90°
• β: 111.913 ± 0.001°
• γ: 90°
• Cell volume: 1128.63 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes