Crystallography Open Database

Information card for entry 2023527

2023526 << 2023527 >> 2023528

Preview

Coordinates	2023527.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-Ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione
Formula	C15 H19 N5 O S
Calculated formula	C15 H19 N5 O S
Title of publication	X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Authors of publication	Nizamuddin, Syed; Prasad, T. N. Mahadeva; Sreenatha, N. R.; Sharath, C. L.; Lakshminarayana, B. N.; Vishnumurthy, K. A.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	9.728 ± 0.0008 Å
b	19.9593 ± 0.0015 Å
c	8.0087 ± 0.0006 Å
α	90°
β	93.23 ± 0.004°
γ	90°
Cell volume	1552.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0968
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.1932
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300214 (current)	2025-06-26	cif/ Adding structures of 2023527 via cif-deposit CGI script.	2023527.cif