Information card for entry 7217801

Structure parameters

• Formula: C21 H21 N3 O3
• Calculated formula: C21 H21 N3 O3
• SMILES: c1(ccccc1/C=N/c1ccccc1c1n(c2c(cccc2)n1)C)O.O.O
• Title of publication: Potential apoptosis inducing agents based on a new benzimidazole Schiff base ligand and its dicopper(II) complex
• Authors of publication: Paul, Anup; Gupta, Rakesh Kumar; Dubey, Mrigendra; Sharma, Gunjan; Koch, Biplob; Hundal, Geeta; Hundal, Maninder Singh; Pandey, Shankar
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 5.5526 ± 0.0011 Å
• b: 10.809 ± 0.002 Å
• c: 16.095 ± 0.003 Å
• α: 93.298 ± 0.01°
• β: 91.208 ± 0.009°
• γ: 98.123 ± 0.01°
• Cell volume: 954.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No