Crystallography Open Database

Information card for entry 2023252

2023251 << 2023252 >> 2023253

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Coordinates	2023252.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-(Phenylselanyl)[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride dichloromethane
Formula	C12.35 H9.7 Cl1.7 N2 Se2
Calculated formula	C12.352 H9.704 Cl1.704 N2 Se2
Title of publication	Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions
Authors of publication	Temesgen, Ayalew W.; Tskhovrebov, Alexander G.; Artemjev, Alexey A.; Kubasov, Alexey S.; Novikov, Alexander S.; Borisov, Alexander V.; Kirichuk, Anatoly A.; Kritchenkov, Andreii S.; Le, Tuan Anh
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	10
a	11.087 ± 0.003 Å
b	11.758 ± 0.005 Å
c	11.991 ± 0.003 Å
α	90°
β	115.337 ± 0.006°
γ	90°
Cell volume	1412.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0634
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294841 (current)	2024-09-21	cif/ Adding structures of 2023252 via cif-deposit CGI script.	2023252.cif