Information card for entry 2202107

Structure parameters

• Chemical name: N-(3-chlorophenyl)-α-(2-hydroxyphenyl)nitrone
• Formula: C13 H10 Cl N O2
• Calculated formula: C13 H10 Cl N O2
• SMILES: Clc1cccc(N(=O)=Cc2ccccc2O)c1
• Title of publication: <i>N</i>-(3-Chlorophenyl)-α-(2-hydroxyphenyl)nitrone: supramolecular aggregation through π‒π and C‒H···π interactions
• Authors of publication: Mothi Mohamed, Ebrahim; Chandrasekar, Srinivasan; Panchanatheswaran, Krishnaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o234 - o236
• a: 5.9476 ± 0.0008 Å
• b: 14.613 ± 0.008 Å
• c: 12.85 ± 0.006 Å
• α: 90°
• β: 97.436 ± 0.006°
• γ: 90°
• Cell volume: 1107.4 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes