Information card for entry 2019188

Structure parameters

• Chemical name: <i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine
• Formula: C16 H12 N4 S
• Calculated formula: C16 H12 N4 S
• SMILES: c1ccc(cn1)/N=C/c1ccc(s1)/C=N/c1cccnc1
• Title of publication: The six-membered-ring azomethine <i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine
• Authors of publication: Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1196 - 1199
• a: 33.4368 ± 0.0005 Å
• b: 6.049 ± 0.0001 Å
• c: 14.6066 ± 0.0002 Å
• α: 90°
• β: 108.034 ± 0.001°
• γ: 90°
• Cell volume: 2809.18 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0382
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No