Crystallography Open Database

Information card for entry 2023533

2023532 << 2023533 >> 2023534

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Coordinates	2023533.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-Methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
Formula	C6 H5 N3 S3
Calculated formula	C6 H5 N3 S3
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
Authors of publication	Kinshakova, Ekaterina; Torambetov, Batirbay; Bharty, Manoj K.; Atashov, Aziz; Rasulov, Abdusamat; Kadirova, Shakhnoza; Gonnade, Rajesh G.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	10.6463 ± 0.0002 Å
b	7.7151 ± 0.0002 Å
c	11.1774 ± 0.0003 Å
α	90°
β	103.272 ± 0.001°
γ	90°
Cell volume	893.56 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
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	0.0407
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
300220 (current)	2025-06-26	cif/ Adding structures of 2023533 via cif-deposit CGI script.	2023533.cif