Information card for entry 2312097

Structure parameters

• Formula: C26 H21 Cl N6 O
• Calculated formula: C26 H21 Cl N6 O
• Title of publication: Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.
• Authors of publication: Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 227 - 236
• a: 9.652 ± 0.0008 Å
• b: 9.7408 ± 0.001 Å
• c: 14.1445 ± 0.0012 Å
• α: 98.183 ± 0.004°
• β: 104.638 ± 0.003°
• γ: 90.059 ± 0.004°
• Cell volume: 1272.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.4457
• Weighted residual factors for all reflections included in the refinement: 0.4731
• Goodness-of-fit parameter for all reflections included in the refinement: 2.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes