Crystallography Open Database

Information card for entry 7222831

Preview

Coordinates	7222831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cl2 N2 O4
Calculated formula	C18 H20 Cl2 N2 O4
SMILES	Clc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1.Cl.O
Title of publication	The interaction of (7-chloroquinolin-4-yl)-(2,5-dimethoxyphenyl)-amine hydrochloride dihydrate with serum albumin proteins, inputs from spectroscopic, molecular docking and X-ray diffraction studies
Authors of publication	Singh, Shailja; Sharma, Kumkum; Awasthi, Satish K.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	104
Pages of publication	85854
a	7.3283 ± 0.0004 Å
b	9.6448 ± 0.0006 Å
c	13.9704 ± 0.0008 Å
α	83.013 ± 0.005°
β	81.025 ± 0.005°
γ	79.065 ± 0.005°
Cell volume	953.31 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
165333 (current)	2015-10-10	cif/ Adding structures of 7222831 via cif-deposit CGI script.	7222831.cif