Information card for entry 2202464

Structure parameters

• Common name: o-Vanillin chlorophenyl imine
• Chemical name: 3-methoxysalicylidene-2-chloroaniline
• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: Clc1ccccc1/N=C/c1c(O)c(OC)ccc1
• Title of publication: 2-Chloro-(3-methoxysalicylidene)aniline
• Authors of publication: Savarimuthu Francis; Packianathan Thomas Muthiah; Galmari Venkatachalam; Rengan Ramesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1045 - o1047
• a: 6.409 ± 0.001 Å
• b: 13.062 ± 0.001 Å
• c: 14.842 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No