Crystallography Open Database

Information card for entry 2238777

Preview

Coordinates	2238777.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol
Formula	C17 H12 N2 O3
Calculated formula	C17 H12 N2 O3
SMILES	Oc1cccc2ccc(nc12)/C=C/c1cc(N(=O)=O)ccc1
Title of publication	(<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol
Authors of publication	Schulze, Mathias; Seichter, Wilhelm; Weber, Edwin
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1651 - o1652
a	20.3346 ± 0.0007 Å
b	4.7167 ± 0.0001 Å
c	15.5674 ± 0.0006 Å
α	90°
β	109.255 ± 0.002°
γ	90°
Cell volume	1409.58 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	2238777.cif
91193	2013-12-09	cif/ Adding structures of 2238777 via cif-deposit CGI script.	2238777.cif