Information card for entry 2208306

Structure parameters

• Common name: 4,5-Dimethyl-1,2-bis(quinoline-2-carboxamido)benzene
• Chemical name: N,N'-(4,5-dimethyl-o-phenylene)bis(quinoline-2-carboxamide)
• Formula: C28 H22 N4 O2
• Calculated formula: C28 H22 N4 O2
• SMILES: n1c2ccccc2ccc1C(=O)Nc1cc(c(cc1NC(=O)c1nc2c(cc1)cccc2)C)C
• Title of publication: 4,5-Dimethyl-1,2-bis(quinoline-2-carboxamido)benzene
• Authors of publication: Nam, Sang Ho; Park, Byeong Kwon; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1189 - o1191
• a: 7.7346 ± 0.001 Å
• b: 11.9127 ± 0.0017 Å
• c: 13.0732 ± 0.0018 Å
• α: 105.682 ± 0.002°
• β: 92.228 ± 0.003°
• γ: 106.699 ± 0.002°
• Cell volume: 1101.9 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No