Information card for entry 4504863

Structure parameters

• Chemical name: 4-[(2-chlorobenzimidazol-1-yl)methyl]benzamide
• Formula: C15 H14 Cl N3 O2
• Calculated formula: C15 H14 Cl N3 O2
• SMILES: Clc1n(c2c(n1)cccc2)Cc1ccc(cc1)C(=O)N.O
• Title of publication: Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides
• Authors of publication: Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1283
• a: 6.0212 ± 0.001 Å
• b: 12.4652 ± 0.0019 Å
• c: 19.166 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1438.5 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No