Crystallography Open Database

Information card for entry 8105840

Preview

Coordinates	8105840.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine
Formula	C10 H6 Cl N3 O S
Calculated formula	C10 H6 Cl N3 O S
Title of publication	Crystal structure of 2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine, C10H6ClN3OS
Authors of publication	Zuo, Zhenyu; Guo, Tianyu; Song, Xiaomei; Guo, Dongyan; Song, Xiao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	753 - 755
a	18.3141 ± 0.0004 Å
b	7.31845 ± 0.00015 Å
c	17.7885 ± 0.0004 Å
α	90°
β	110.495 ± 0.003°
γ	90°
Cell volume	2233.29 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0364
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278083 (current)	2022-09-22	cif/ Adding structures of 8105840 via cif-deposit CGI script.	8105840.cif