Crystallography Open Database

Information card for entry 2239885

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Structure parameters

Chemical name	Ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate
Formula	C14 H14 Cl N O4
Calculated formula	C14 H14 Cl N O4
SMILES	CCOC(=O)c1c(nc2c(ccc(c2c1)OC)OC)Cl
Title of publication	Crystal structure of ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate
Authors of publication	Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	9
Pages of publication	o964 - o965
a	7.512 ± 0.004 Å
b	9.759 ± 0.005 Å
c	9.811 ± 0.005 Å
α	76.071 ± 0.01°
β	72.021 ± 0.01°
γ	86.037 ± 0.01°
Cell volume	664 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0498
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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