Information card for entry 2022765

Structure parameters

• Chemical name: 2-Amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile
• Formula: C19 H15 N5 S
• Calculated formula: C19 H15 N5 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.
• Authors of publication: Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 526 - 530
• a: 7.89079 ± 0.00013 Å
• b: 16.499 ± 0.0003 Å
• c: 13.1394 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1710.62 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes