Information card for entry 2227416

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(3-Carboxy-4-hydroxyphenyl)iminiomethyl]-4-chlorophenolate
• Formula: C14 H10 Cl N O4
• Calculated formula: C14 H10 Cl N O4
• SMILES: Clc1ccc([O-])c(c1)/C=[NH+]/c1ccc(O)c(c1)C(=O)O
• Title of publication: 2-[(<i>E</i>)-(3-Carboxy-4-hydroxyphenyl)iminiomethyl]-4-chlorophenolate
• Authors of publication: Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2466
• a: 7.1504 ± 0.0006 Å
• b: 10.9059 ± 0.001 Å
• c: 15.8015 ± 0.0018 Å
• α: 90°
• β: 98.396 ± 0.002°
• γ: 90°
• Cell volume: 1219 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes