Information card for entry 7210356

Structure parameters

• Formula: C22 H18 N4 O2
• Calculated formula: C22 H18 N4 O2
• SMILES: C(=O)(c1cc2c(cc1)nccc2)NCCNC(=O)c1cc2cccnc2cc1
• Title of publication: Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives
• Authors of publication: Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 7212
• a: 36.179 ± 0.003 Å
• b: 5.8548 ± 0.0005 Å
• c: 8.3919 ± 0.0011 Å
• α: 90°
• β: 102.225 ± 0.009°
• γ: 90°
• Cell volume: 1737.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2733
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No