Information card for entry 7215710

Structure parameters

• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O=C(c1cnc(C(=O)Nc2ccccc2)cn1)Nc1ccccc1
• Title of publication: Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene
• Authors of publication: Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4265
• a: 4.813 ± 0.003 Å
• b: 9.377 ± 0.005 Å
• c: 15.91 ± 0.009 Å
• α: 90°
• β: 90.696 ± 0.009°
• γ: 90°
• Cell volume: 718 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No