Crystallography Open Database

Information card for entry 2022359

2022358 << 2022359 >> 2022360

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Coordinates	2022359.cif
Original IUCr paper	HTML

Structure parameters

Common name	6-Methyl-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide
Chemical name	6-Methyl-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide
Formula	C12 H17 N5 O S
Calculated formula	C12 H17 N5 O S
SMILES	C(=S)(N/N=C(N)/c1cccc(C)n1)N1CCOCC1
Title of publication	Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
Authors of publication	Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
Journal of publication	Acta Crystallographica, Section C
Year of publication	2020
Journal volume	76
Journal issue	7
Pages of publication	673 - 680
a	14.0601 ± 0.0002 Å
b	10.9903 ± 0.0002 Å
c	8.7228 ± 0.0002 Å
α	90°
β	97.16°
γ	90°
Cell volume	1337.38 ± 0.04 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	0.0287
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264471 (current)	2021-04-23	cif/ Adding structures of 2022359, 2022360, 2022361, 2022362 via cif-deposit CGI script.	2022359.cif