Information card for entry 2212421

Structure parameters

• Chemical name: N,N'-Bis(4-pyridylmethylene)benzene-1,4-diamine
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: n1ccc(cc1)/C=N/c1ccc(cc1)/N=C/c1ccncc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-pyridylmethylene)benzene-1,4-diamine
• Authors of publication: Hou, Qiu-Fei; Ye, Ling; Jiang, Shi-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o939 - o940
• a: 7.5282 ± 0.0015 Å
• b: 9.6334 ± 0.0019 Å
• c: 10.975 ± 0.002 Å
• α: 79.66 ± 0.03°
• β: 81.89 ± 0.03°
• γ: 71.31 ± 0.03°
• Cell volume: 738.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes