Information card for entry 2007295

Structure parameters

• Formula: C21 H17 Cl2 N3
• Calculated formula: C21 H17 Cl2 N3
• SMILES: Clc1cccc(c1NCc1nc2c(n1Cc1ccccc1)cccc2)Cl
• Title of publication: 1-Benzyl-2-(2,6-dichloroanilinomethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Kendi, Engin; Özbey, Süheyla; Tunçbilek, Meral; Göker, Hakan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 854 - 856
• a: 11.2662 ± 0.0013 Å
• b: 9.8162 ± 0.001 Å
• c: 17.2773 ± 0.0018 Å
• α: 90°
• β: 102.47 ± 0.01°
• γ: 90°
• Cell volume: 1865.6 ± 0.4 ų
• Cell temperature: 295 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 significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 0.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No