Information card for entry 2223134

Structure parameters

• Chemical name: <i>N'</i>-[(3-Methyl-2-thienyl)carbonyl]isonicotinohydrazide
• Formula: C12 H11 N3 O2 S
• Calculated formula: C12 H11 N3 O2 S
• SMILES: s1c(C(=O)NNC(=O)c2ccncc2)c(cc1)C
• Title of publication: <i>N</i>'-[(3-Methyl-2-thienyl)carbonyl]isonicotinohydrazide
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2235 - o2236
• a: 8.9206 ± 0.0001 Å
• b: 10.7552 ± 0.0002 Å
• c: 12.4934 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1198.65 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes