Information card for entry 1506409

Structure parameters

• Chemical name: 1-N-methyl-2-(phenylazo)imidazole
• Formula: C10 H10 N4
• Calculated formula: C10 H10 N4
• SMILES: N(=Nc1n(ccn1)C)c1ccccc1
• Title of publication: Photochromism of 2-(phenylazo)imidazoles.
• Authors of publication: Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 35
• Pages of publication: 8064 - 8069
• a: 6.67 ± 0.001 Å
• b: 11.506 ± 0.002 Å
• c: 12.975 ± 0.002 Å
• α: 90°
• β: 114.56 ± 0.05°
• γ: 90°
• Cell volume: 905.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No