Information card for entry 2236289

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide
• Formula: C12 H11 N3 O S
• Calculated formula: C12 H11 N3 O S
• SMILES: c1ccc(/C(=N/NC(=O)c2ccncc2)C)s1
• Title of publication: (<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide
• Authors of publication: Dileep, C. S.; Abdoh, M. M. M; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2972
• a: 3.9466 ± 0.0001 Å
• b: 10.5956 ± 0.0004 Å
• c: 14.3647 ± 0.0006 Å
• α: 74.656 ± 0.002°
• β: 82.595 ± 0.002°
• γ: 79.426 ± 0.002°
• Cell volume: 567.39 ± 0.04 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: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes