Information card for entry 2023479

Structure parameters

• Chemical name: 2-[4-(2-Methylpropyl)phenyl]-<i>N</i>'-[(1<i>Z</i>)-1-(thiophen-2-yl)ethylidene]propanehydrazide
• Formula: C19 H24 N2 O S
• Calculated formula: C19 H24 N2 O S
• SMILES: s1c(/C(=N/NC(=O)C(c2ccc(cc2)CC(C)C)C)C)ccc1
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methyl-prop-yl)phen-yl]-<i>N</i>'-[(1<i>Z</i>)-1-(thio-phen-2-yl)ethyl-idene]propane-hydrazide.
• Authors of publication: Jayadevan, Sarayu; Sujith, K. V.; Biju, A. R.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 417 - 419
• a: 7.9057 ± 0.0003 Å
• b: 10.1929 ± 0.0003 Å
• c: 12.2794 ± 0.0003 Å
• α: 83.238 ± 0.001°
• β: 89.201 ± 0.001°
• γ: 71.122 ± 0.001°
• Cell volume: 929.45 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No