Information card for entry 2231703

Structure parameters

• Chemical name: <i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: c1ccc(cn1)/C=N/c1ccc(cc1)/N=C/c1cccnc1
• Title of publication: A centrosymmetric monoclinic polymorph of <i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2250
• a: 16.622 ± 0.006 Å
• b: 6.171 ± 0.002 Å
• c: 7.159 ± 0.002 Å
• α: 90°
• β: 95.732 ± 0.008°
• γ: 90°
• Cell volume: 730.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes