Information card for entry 2102516

Structure parameters

• Chemical name: 4-(2-Chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone
• Formula: C13 H12 Cl N O4
• Calculated formula: C13 H12 Cl N O4
• SMILES: Clc1c(cc(OC)c(OC)c1)C=C1N=C(OC1=O)C
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 6.707 ± 0.001 Å
• b: 17.023 ± 0.004 Å
• c: 22.938 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2618.9 ± 0.8 ų
• Cell temperature: 0 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No