Information card for entry 1545118

Structure parameters

• Chemical name: 2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Formula: C25 H15 Br N2 S
• Calculated formula: C25 H15 Br N2 S
• SMILES: c1cc(n2c(nc3c2c2c(c4c3cccc4)cccc2)c2sc(Br)cc2)ccc1
• Title of publication: 2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Authors of publication: Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170089
• a: 9.2966 ± 0.0004 Å
• b: 23.0723 ± 0.0011 Å
• c: 9.8089 ± 0.0004 Å
• α: 90°
• β: 109.663 ± 0.001°
• γ: 90°
• Cell volume: 1981.26 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes