Crystallography Open Database

Information card for entry 7160818

Preview

Coordinates	7160818.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-chloro-N'-(pyridin-2-yloxy)benzimidamide
Formula	C12 H10 Cl N3 O
Calculated formula	C12 H10 Cl N3 O
Title of publication	Access to 4-(pyridin-2-yloxy)-1,2,4-thiadiazol-5(4H)-ones via amidoxime O-heteroarylation/cyclization reactions sequence
Authors of publication	Solodyankina, Olga V.; Baykova, Svetlana O.; Baykov, Sergey; Togyzbayeva, Nurila; Zhussupova, Leilya; Novikov, Mikhail Sergeevich; Turmanov, Rakhymjan; Boyarskiy, Vadim
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	10.6695 ± 0.0002 Å
b	9.7859 ± 0.0002 Å
c	11.9081 ± 0.0003 Å
α	90°
β	113.892 ± 0.003°
γ	90°
Cell volume	1136.79 ± 0.05 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	0.0389
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303053 (current)	2025-10-28	cif/ Adding structures of 7160818, 7160819, 7160820, 7160821 via cif-deposit CGI script.	7160818.cif