Information card for entry 2221500

Structure parameters

• Chemical name: 14-(2,3-Dichlorophenyl)-9,10-dimethylbenzimidazo[1,2- <i>a</i>]benzo[<i>f</i>][1,8]naphthyridine-6-carbonitrile
• Formula: C27 H16 Cl2 N4
• Calculated formula: C27 H16 Cl2 N4
• SMILES: Clc1c(Cl)cccc1c1nc2n3c(nc4c3cc(c(c4)C)C)c(C#N)cc2c2c1cccc2
• Title of publication: 14-(2,3-Dichlorophenyl)-9,10-dimethylbenzimidazo[1,2-<i>a</i>]benzo[<i>f</i>][1,8]naphthyridine-6-carbonitrile
• Authors of publication: Tarasov, Andrii V.; Volovnenko, Tatyana A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Volovenko, Yulian M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o792
• a: 8.5588 ± 0.0008 Å
• b: 11.0751 ± 0.0013 Å
• c: 12.2332 ± 0.0011 Å
• α: 76.985 ± 0.009°
• β: 75.986 ± 0.008°
• γ: 85.438 ± 0.009°
• Cell volume: 1095.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes