Information card for entry 2242095

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-Indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate
• Formula: C17 H18 N4 O2
• Calculated formula: C17 H18 N4 O2
• SMILES: O=C(NN=Cc1c2c([nH]c1)cccc2)c1ccncc1.OCC
• Title of publication: Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide
• Authors of publication: Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 594 - 597
• a: 9.4692 ± 0.0018 Å
• b: 9.9821 ± 0.0019 Å
• c: 16.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes