Information card for entry 1543538

Structure parameters

• Common name: 4-bromophenyl dipyrromethane
• Chemical name: 2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)
• Formula: C15 H13 Br N2
• Calculated formula: C15 H13 Br N2
• SMILES: Brc1ccc(C(c2[nH]ccc2)c2[nH]ccc2)cc1
• Title of publication: 2,2'-[(4-Bromophenyl)methylene]bis(1<i>H</i>-pyrrole)
• Authors of publication: Bauri, A. K.; Foro, Sabine; Nguyen, Nhu Do Quynh
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x161005
• a: 5.8132 ± 0.0008 Å
• b: 19.763 ± 0.002 Å
• c: 11.656 ± 0.001 Å
• α: 90°
• β: 96.85 ± 0.01°
• γ: 90°
• Cell volume: 1329.6 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes