Crystallography Open Database

Information card for entry 2238870

Preview

Coordinates	2238870.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Chlorophenyl quinoline-2-carboxylate
Formula	C16 H10 Cl N O2
Calculated formula	C16 H10 Cl N O2
SMILES	Clc1ccc(OC(=O)c2nc3c(cc2)cccc3)cc1
Title of publication	4-Chlorophenyl quinoline-2-carboxylate
Authors of publication	Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1841
a	6.38693 ± 0.00018 Å
b	16.8893 ± 0.0005 Å
c	12.2649 ± 0.0004 Å
α	90°
β	103.527 ± 0.003°
γ	90°
Cell volume	1286.32 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0445
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238870.cif
171761	2015-12-30	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2.	2238870.cif
92186	2014-01-12	cif/ Adding structures of 2238870 via cif-deposit CGI script.	2238870.cif