Information card for entry 2237150

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-Hydroxy-3-methoxybenzylidene]-<i>N</i>- methylhydrazinecarbothioamide
• Formula: C11 H15 N3 O2 S
• Calculated formula: C11 H15 N3 O2 S
• SMILES: CCNC(=S)N/N=C/c1cccc(c1O)OC
• Title of publication: 2-[(<i>E</i>)-2-Hydroxy-3-methoxybenzylidene]-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Shankara, B. S.; Shashidhar, N.; Patil, Yogesh Prakash; Krishna, P. Murali; Nethaji, Munirathinam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o61
• a: 13.251 ± 0.006 Å
• b: 6.185 ± 0.003 Å
• c: 16.38 ± 0.008 Å
• α: 90°
• β: 113.153 ± 0.007°
• γ: 90°
• Cell volume: 1234.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes