Information card for entry 2233837

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine
• Formula: C12 H13 N3 O
• Calculated formula: C12 H13 N3 O
• SMILES: O/N=C(c1ccccc1)\CCn1cncc1
• Title of publication: (<i>E</i>)-<i>N</i>-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Almutairi, Maha S.; Ghoneim, Soraya W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o627
• a: 8.099 ± 0.0001 Å
• b: 14.0513 ± 0.0002 Å
• c: 9.9771 ± 0.0002 Å
• α: 90°
• β: 93.058 ± 0.001°
• γ: 90°
• Cell volume: 1133.79 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes