Information card for entry 2212294

Structure parameters

• Chemical name: 3-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneaminomethyl]cyclohexanecarboxylic acid
• Formula: C15 H18 Br N O3
• Calculated formula: C15 H18 Br N O3
• SMILES: Brc1ccc(O)c(c1)/C=N/CC1CCC(CC1)C(=O)O
• Title of publication: 3-[(<i>E</i>)-(5-Bromo-2-hydroxyphenyl)methylideneaminomethyl]cyclohexanecarboxylic acid
• Authors of publication: Shuja, Shaukat; Ali, Saqib; Khalid, Nasir; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o879 - o880
• a: 9.786 ± 0.003 Å
• b: 12.589 ± 0.005 Å
• c: 12.475 ± 0.004 Å
• α: 90°
• β: 104.437 ± 0.019°
• γ: 90°
• Cell volume: 1488.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes