Information card for entry 2215421

Structure parameters

• Chemical name: <i>N</i>'-[(Thiophen-3-yl)methylene]isonicotinohydrazide
• Formula: C11 H9 N3 O S
• Calculated formula: C11 H9 N3 O S
• SMILES: s1ccc(c1)C=NNC(=O)c1ccncc1
• Title of publication: <i>N</i>'-[(Thiophen-3-yl)methylene]isonicotinohydrazide
• Authors of publication: Jing, Zuo-Liang; Yu, Ming; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4029 - o4029
• a: 19.861 ± 0.004 Å
• b: 5.1856 ± 0.001 Å
• c: 10.103 ± 0.002 Å
• α: 90°
• β: 99.55 ± 0.03°
• γ: 90°
• Cell volume: 1026.1 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0983
• 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: Yes