Crystallography Open Database

Information card for entry 7160821

Preview

Coordinates	7160821.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N'-((3,5-dimethylpyridin-2-yl)oxy)benzimidamide
Formula	C14 H15 N3 O
Calculated formula	C14 H15 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	10.2378 ± 0.0001 Å
b	10.2378 ± 0.0001 Å
c	10.7057 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	971.76 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7160821.cif