Information card for entry 2235332

Structure parameters

• Chemical name: 4-[(<i>E</i>)-(Hydroxyimino)methyl]-<i>N</i>,<i>N</i>-dimethylanilinium chloride
• Formula: C9 H13 Cl N2 O
• Calculated formula: C9 H13 Cl N2 O
• SMILES: [Cl-].O/N=C/c1ccc([NH+](C)C)cc1
• Title of publication: 4-[(<i>E</i>)-(Hydroxyimino)methyl]-<i>N</i>,<i>N</i>-dimethylanilinium chloride
• Authors of publication: Devi, T. Uma; Kalpana, G.; Priya, S.; Ravikumar, K.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1705
• a: 11.2696 ± 0.001 Å
• b: 11.7093 ± 0.001 Å
• c: 7.6961 ± 0.0007 Å
• α: 90°
• β: 90.108 ± 0.002°
• γ: 90°
• Cell volume: 1015.57 ± 0.16 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes