Crystallography Open Database

Information card for entry 7157763

Preview

Coordinates	7157763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl N2 O
Calculated formula	C16 H11 Cl N2 O
SMILES	Clc1c2c(nccc2)c(NC(=O)c2ccccc2)cc1
Title of publication	C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane.
Authors of publication	Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	6
Pages of publication	1352 - 1357
a	18.614 ± 0.004 Å
b	9.112 ± 0.0018 Å
c	16.553 ± 0.003 Å
α	90°
β	107.01 ± 0.03°
γ	90°
Cell volume	2684.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
262721 (current)	2021-03-05	cif/ Updating files of 7157763 Original log message: Adding full bibliography for 7157763.cif.	7157763.cif
259449	2020-12-02	cif/ Adding structures of 7157763 via cif-deposit CGI script.	7157763.cif