Information card for entry 7229283

Structure parameters

• Formula: C23 H15 Cl N2 O2
• Calculated formula: C23 H15 Cl N2 O2
• SMILES: c1ccccc1c1c(cn(C(=O)c2ccc(cc2)Cl)n1)C(=O)c1ccccc1
• Title of publication: Design, synthesis, and herbicidal activity of pyrazole benzophenone derivatives
• Authors of publication: Fu, Ying; Wang, Meng-Xia; Zhang, Dong; Hou, Yu-Wen; Gao, Shuang; Zhao, Li-Xia; Ye, Fei
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 74
• Pages of publication: 46858
• a: 8.1098 ± 0.0006 Å
• b: 10.3956 ± 0.001 Å
• c: 11.5 ± 0.0016 Å
• α: 88.824 ± 0.01°
• β: 77.369 ± 0.01°
• γ: 87.304 ± 0.007°
• Cell volume: 944.96 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1406
• Residual factor for significantly intense reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.3374
• Weighted residual factors for all reflections included in the refinement: 0.3431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No