Information card for entry 2233961

Structure parameters

• Chemical name: 1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene
• Formula: C13 H11 Cl2 N3 O
• Calculated formula: C13 H11 Cl2 N3 O
• SMILES: Clc1cc(N=NNc2c(OC)cccc2)cc(Cl)c1
• Title of publication: 1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene
• Authors of publication: Melardi, Mohammad Reza; Aghamohamadi, Maryam; Attar Gharamaleki, Jafar; Rofouei, Mohammad Kazem; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o724
• a: 15.422 ± 0.003 Å
• b: 23.068 ± 0.005 Å
• c: 7.6141 ± 0.0015 Å
• α: 90°
• β: 92.6 ± 0.03°
• γ: 90°
• Cell volume: 2706 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes