Information card for entry 2023465

Structure parameters

• Chemical name: 4-Amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hydroxyphenyl)ethylidene]benzohydrazide
• Formula: C15 H15 N3 O2
• Calculated formula: C15 H15 N3 O2
• SMILES: O=C(N/N=C(C)/c1cc(O)ccc1)c1ccc(N)cc1
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of 4-amino-<i>N</i>'-[(1<i>E</i>)-1-(3-hy-droxyphen-yl)ethyl-idene]benzohydrazide.
• 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: Pt 5
• Pages of publication: 389 - 392
• a: 8.3562 ± 0.0004 Å
• b: 9.2666 ± 0.0004 Å
• c: 9.9151 ± 0.0004 Å
• α: 76.685 ± 0.002°
• β: 65.316 ± 0.001°
• γ: 84.909 ± 0.002°
• Cell volume: 678.83 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No