Information card for entry 2018593

Structure parameters

• Chemical name: 2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: O=C(Nc1c(OC)cccc1)[C@@H]1[C@@H](CCCC1)C(=O)O.O=C(Nc1c(OC)cccc1)[C@H]1[C@H](CCCC1)C(=O)O
• Title of publication: Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o327 - o331
• a: 7.3557 ± 0.0004 Å
• b: 8.363 ± 0.0004 Å
• c: 11.7128 ± 0.0006 Å
• α: 100.453 ± 0.004°
• β: 97.232 ± 0.004°
• γ: 104.042 ± 0.004°
• Cell volume: 676.4 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes