Information card for entry 2023001

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(2-Amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C13 H15 N5 O4
• Calculated formula: C13 H15 N5 O4
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-di-methylformamide monosolvate.
• Authors of publication: Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 110 - 116
• a: 7.9481 ± 0.0007 Å
• b: 12.8523 ± 0.0013 Å
• c: 14.8737 ± 0.0015 Å
• α: 96.651 ± 0.004°
• β: 96.96 ± 0.003°
• γ: 90.548 ± 0.003°
• Cell volume: 1497.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes