Information card for entry 7224160

Structure parameters

• Formula: C17 H15 N2 O3 P
• Calculated formula: C17 H15 N2 O3 P
• SMILES: P(=O)(NNC(=O)c1occc1)(c1ccccc1)c1ccccc1
• Title of publication: Phosphorhydrazides inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study
• Authors of publication: Gholivand, Khodayar; Ebrahimi valmoozi, Ali Asghar; asadi, lida; hodaie, merat; sharifi, mahboobeh; Mazruee Kashani, hadi; Mahzouni, Hamid R.; Ghadamyari, Mohammad; kalateh, Ali Asghar; davari, ehsan; salehi, sami; Bonsaii, Mahyar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.2009 ± 0.0008 Å
• b: 8.7089 ± 0.0008 Å
• c: 11.279 ± 0.0011 Å
• α: 78.414 ± 0.002°
• β: 83.899 ± 0.003°
• γ: 73.626 ± 0.002°
• Cell volume: 756.08 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No