Information card for entry 2225083

Structure parameters

• Chemical name: <i>N</i>^4^-(3-Bromophenyl)quinazoline-4,6-diamine
• Formula: C14 H11 Br N4
• Calculated formula: C14 H11 Br N4
• SMILES: Brc1cccc(c1)Nc1ncnc2c1cc(N)cc2
• Title of publication: <i>N</i>^4^-(3-Bromophenyl)quinazoline-4,6-diamine
• Authors of publication: Li, De-Liang; Wu, Yang; Wang, Qiang; He, Gu; Yu, Luo-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o447
• a: 7.5579 ± 0.0015 Å
• b: 11.743 ± 0.002 Å
• c: 15.554 ± 0.003 Å
• α: 110.24 ± 0.03°
• β: 96.79 ± 0.03°
• γ: 96.75 ± 0.03°
• Cell volume: 1267.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes