Crystallography Open Database

Information card for entry 2022765

2022764 << 2022765 >> 2022766

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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 Å³
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 F_obs	Yes

Version history

Revision	Date	Message	Files
285056 (current)	2023-07-06	cif/ Updating files of 2022765 Original log message: Adding full bibliography for 2022765.cif.	2022765.cif 2022765.hkl
283742	2023-05-13	cif/ hkl/ Adding structures of 2022765 via cif-deposit CGI script.	2022765.cif 2022765.hkl