Information card for entry 7224961

Structure parameters

• Common name: methyl yellow
• Chemical name: 'N,N-dimethyl-4-aminoazobenzene '
• Formula: C14 H15 N3
• Calculated formula: C14 H15 N3
• SMILES: CN(C)c1ccc(cc1)N=Nc1ccccc1
• Title of publication: Polymorphism of the azobenzene dye compound methyl yellow
• Authors of publication: Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3456
• a: 6.2362 ± 0.0002 Å
• b: 16.4475 ± 0.0006 Å
• c: 11.5774 ± 0.0005 Å
• α: 90°
• β: 93.457 ± 0.004°
• γ: 90°
• Cell volume: 1185.33 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No