Information card for entry 2220773

Structure parameters

• Chemical name: 3-(1<i>H</i>-Benzimidazol-2-yl)-2-chloro-8-methylquinoline
• Formula: C17 H12 Cl N3
• Calculated formula: C17 H12 Cl N3
• SMILES: Clc1nc2c(cc1c1nc3ccccc3[nH]1)cccc2C
• Title of publication: 3-(1<i>H</i>-Benzimidazol-2-yl)-2-chloro-8-methylquinoline
• Authors of publication: Rominger, Frank; Malathi, Mahalingam; Mohan, Palathurai Subramaniam; Ramamurthi Dondeti, Tanuja; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o400
• a: 16.4721 ± 0.0015 Å
• b: 9.0061 ± 0.0008 Å
• c: 9.6643 ± 0.0009 Å
• α: 90°
• β: 98.433 ± 0.002°
• γ: 90°
• Cell volume: 1418.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes