Information card for entry 2006819

Structure parameters

• Common name: 2'-hydroxy-4-N-methylstilbazonium iodide methanol solvate
• Chemical name: 1-methyl-4-(2-(2-hydroxyphenyl)vinyl)pyridium iodide methanol solvate
• Formula: C15 H18 I N O2
• Calculated formula: C15 H18 I N O2
• SMILES: [I-].Oc1c(\C=C/c2cc[n](C)cc2)cccc1.OC
• Title of publication: 2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH
• Authors of publication: Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1895 - 1897
• a: 7.996 ± 0.001 Å
• b: 20.776 ± 0.002 Å
• c: 9.761 ± 0.001 Å
• α: 90°
• β: 101.32 ± 0.01°
• γ: 90°
• Cell volume: 1590 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No