Crystallography Open Database

Information card for entry 1566116

Preview

Coordinates	1566116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O2
Calculated formula	C21 H20 N2 O2
SMILES	O(c1c(Nc2c(cccc2)/C=N/c2c(OC)cccc2)cccc1)C
Title of publication	A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability
Authors of publication	Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan
Journal of publication	Comptes Rendus Chimie
Year of publication	2014
Journal volume	17
Journal issue	4
Pages of publication	377 - 385
a	11.736 ± 0.002 Å
b	7.3385 ± 0.0015 Å
c	11.975 ± 0.002 Å
α	90°
β	119.23 ± 0.03°
γ	90°
Cell volume	900 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
272219 (current)	2022-01-25	cif/ Adding structures of 1566115, 1566116, 1566117 via cif-deposit CGI script.	1566116.cif