Information card for entry 7151758

Structure parameters

• Formula: C10 H16 N2 O2 Se
• Calculated formula: C10 H16 N2 O2 Se
• SMILES: [Se](CCC(=O)O)CCn1nc(cc1C)C
• Title of publication: Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.
• Authors of publication: Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2992 - 2998
• a: 13.2 ± 0.005 Å
• b: 11.169 ± 0.005 Å
• c: 7.993 ± 0.004 Å
• α: 90°
• β: 92.12 ± 0.04°
• γ: 90°
• Cell volume: 1177.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No