Information card for entry 2311600

Structure parameters

• Chemical name: 2-(4-Nitrophenyl)-2-oxoethyl picolinate
• Formula: C14 H10 N2 O5
• Calculated formula: C14 H10 N2 O5
• SMILES: O(CC(=O)c1ccc(N(=O)=O)cc1)C(=O)c1ncccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl picolinate.
• Authors of publication: Sanjeeva Murthy, T. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2019
• Journal volume: 75
• Journal issue: Pt 11
• Pages of publication: 1763 - 1767
• a: 4.6292 ± 0.0004 Å
• b: 10.6563 ± 0.0009 Å
• c: 13.3592 ± 0.0011 Å
• α: 99.136 ± 0.001°
• β: 93.426 ± 0.001°
• γ: 100.556 ± 0.001°
• Cell volume: 636.95 ± 0.09 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0624
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No