Information card for entry 2215351

Structure parameters

• Chemical name: (E)-N-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: n1c(/N=C2/N(Cc3c2cccc3)c2ncccc2)cccc1
• Title of publication: (<i>E</i>)-<i>N</i>-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine
• Authors of publication: Li-Na Zhu; Shan Gao; Li-Hua Huo; Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4111 - o4111
• a: 8.2571 ± 0.0017 Å
• b: 8.2797 ± 0.0017 Å
• c: 12.521 ± 0.003 Å
• α: 105.97 ± 0.03°
• β: 92.13 ± 0.03°
• γ: 118.51 ± 0.03°
• Cell volume: 708.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes