Information card for entry 2200729

Structure parameters

• Chemical name: N,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine
• Formula: C15 H16 N4 O2
• Calculated formula: C15 H16 N4 O2
• SMILES: N(=N/c1ccc(N(C)C)cc1)\c1cc(N(=O)=O)c(cc1)C
• Title of publication: Redetermination of <i>N,N</i>-dimethyl-<i>N</i>-{4-[(<i>E</i>)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine at 193 K: another example of dynamic disorder of substituted azobenzene compounds
• Authors of publication: Oleg Ya. Borbulevych; Mikhail Yu. Antipin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1250 - o1251
• a: 10.509 ± 0.006 Å
• b: 10.763 ± 0.005 Å
• c: 13.146 ± 0.007 Å
• α: 90°
• β: 107.26 ± 0.04°
• γ: 90°
• Cell volume: 1420 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1329
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes