Information card for entry 2023495

Structure parameters

• Chemical name: (<i>E</i>)-2-Cyano-<i>N</i>'-(3,4,5-trimethoxybenzylidene)acetohydrazide
• Formula: C13 H15 N3 O4
• Calculated formula: C13 H15 N3 O4
• SMILES: O(c1cc(/C=N/NC(=O)CC#N)cc(OC)c1OC)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide
• Authors of publication: Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 13.9944 ± 0.0008 Å
• b: 11.0371 ± 0.0007 Å
• c: 9.056 ± 0.0005 Å
• α: 90°
• β: 99.936 ± 0.002°
• γ: 90°
• Cell volume: 1377.79 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No