Information card for entry 7054817

Structure parameters

• Formula: C21 H14 N2
• Calculated formula: C21 H14 N2
• SMILES: n1c2ccccc2[nH]c1c1c2ccccc2cc2ccccc12
• Title of publication: Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives
• Authors of publication: Sontakke, Vyankat A.; Kate, Anup N.; Ghosh, Sougata; More, Piyush; Gonnade, Rajesh; Kumbhar, Navanath M.; Kumbhar, Anupa A.; Chopade, Balu A.; Shinde, Vaishali S.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 4882
• a: 12.8102 ± 0.0003 Å
• b: 12.3291 ± 0.0003 Å
• c: 10.2865 ± 0.0002 Å
• α: 90°
• β: 112.007 ± 0.001°
• γ: 90°
• Cell volume: 1506.26 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No