Information card for entry 2011084

Structure parameters

• Chemical name: 4-Phenylazoaniline hydrochloride
• Formula: C12 H12 Cl N3
• Calculated formula: C12 H12 Cl N3
• SMILES: [Cl-].Nc1ccc(N=[N+]c2ccccc2)cc1
• Title of publication: <i>p</i>-Phenylazoaniline hydrochloride from powder data: protonation site and UV‒visible spectra
• Authors of publication: Yatsenko, A. V.; Chernyshev, V. V.; Kurbakov, A. I.; Schenk, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 892 - 894
• a: 7.4 ± 0.003 Å
• b: 18.511 ± 0.005 Å
• c: 8.92 ± 0.003 Å
• α: 90°
• β: 111.91 ± 0.02°
• γ: 90°
• Cell volume: 1133.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Goodness-of-fit parameter for all reflections: 1.75
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No