Information card for entry 1543740

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)
• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: Clc1c(C(=O)NCCNC(=O)c2ccccc2Cl)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide)
• Authors of publication: Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161190
• a: 4.9667 ± 0.0006 Å
• b: 23.701 ± 0.003 Å
• c: 7.1113 ± 0.0008 Å
• α: 90°
• β: 104.189 ± 0.004°
• γ: 90°
• Cell volume: 811.57 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes