Information card for entry 2201379

Structure parameters

• Chemical name: 1,4-Dicholoro-1,4-diphenyl-2,3-diazabuta-1,3-diene
• Formula: C14 H10 Cl2 N2
• Calculated formula: C14 H10 Cl2 N2
• SMILES: Cl/C(=N\N=C(Cl)\c1ccccc1)c1ccccc1
• Title of publication: 1,4-Dichloro-1,4-diphenyl-2,3-diazabuta-1,3-diene
• Authors of publication: Tandon, Vishnu K.; Sharon, Ashoke; Bandichhor, Rakeshawar; Maulik, Prakas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o869 - o870
• a: 11.501 ± 0.001 Å
• b: 7.5319 ± 0.0007 Å
• c: 14.958 ± 0.002 Å
• α: 90°
• β: 99.25 ± 0.01°
• γ: 90°
• Cell volume: 1278.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No