Crystallography Open Database

Information card for entry 7230893

Preview

Coordinates	7230893.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1R,2S)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid
Formula	C19 H21 N5 O3
Calculated formula	C19 H21 N5 O3
Title of publication	Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
Authors of publication	Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	29
Pages of publication	4179
a	10.596 ± 0.001 Å
b	12.337 ± 0.0012 Å
c	13.722 ± 0.002 Å
α	90°
β	102.789 ± 0.013°
γ	90°
Cell volume	1749.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228876 (current)	2019-11-17	cif/ Updating files of 7230893, 7230894, 7230895, 7230896, 7230897, 7230898, 7230899 Original log message: Adding full bibliography for 7230893--7230899.cif.	7230893.cif
208397	2018-06-15	cif/ Adding structures of 7230893, 7230894, 7230895, 7230896, 7230897, 7230898, 7230899 via cif-deposit CGI script.	7230893.cif