Information card for entry 2209910

Structure parameters

• Chemical name: 4-(2,2-dichloro-N-methylacetamido)phenyl furan-2-carboxylate
• Formula: C14 H11 Cl2 N O4
• Calculated formula: C14 H11 Cl2 N O4
• SMILES: ClC(Cl)C(=O)N(c1ccc(OC(=O)c2occc2)cc1)C
• Title of publication: 4-(2,2-Dichloro-<i>N</i>-methylacetamido)phenyl furan-2-carboxylate
• Authors of publication: Naveen, S.; Dinesh Manvar; Anamik Shah; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3587 - o3588
• a: 8.334 ± 0.005 Å
• b: 10.778 ± 0.005 Å
• c: 16.412 ± 0.01 Å
• α: 90°
• β: 103.761 ± 0.002°
• γ: 90°
• Cell volume: 1431.9 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes