Information card for entry 4348417

Structure parameters

• Formula: C22 H21 N3 O
• Calculated formula: C22 H21 N3 O
• SMILES: O=C(/N=C(\Nc1ccc(cc1)C)NCc1ccccc1)c1ccccc1
• Title of publication: DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands
• Authors of publication: Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 780
• a: 12.6374 ± 0.0015 Å
• b: 12.789 ± 0.0015 Å
• c: 12.804 ± 0.0015 Å
• α: 73.447 ± 0.002°
• β: 75.957 ± 0.002°
• γ: 74.303 ± 0.002°
• Cell volume: 1878.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No