Information card for entry 2234436

Structure parameters

• Chemical name: 2,2'-Dichloro-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]diacetamide
• Formula: C12 H14 Cl2 N2 O2
• Calculated formula: C12 H14 Cl2 N2 O2
• SMILES: ClCC(=O)NCc1cccc(c1)CNC(=O)CCl
• Title of publication: 2,2'-Dichloro-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]diacetamide
• Authors of publication: Cai, Hong-Xin; Wu, Wei-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o933
• a: 20.62 ± 0.02 Å
• b: 7.464 ± 0.008 Å
• c: 9.485 ± 0.011 Å
• α: 90°
• β: 110.362 ± 0.011°
• γ: 90°
• Cell volume: 1369 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No