Crystallography Open Database

Information card for entry 4505957

Preview

Coordinates	4505957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Cl2 N2 O2
Calculated formula	C19 H15 Cl2 N2 O2
Title of publication	High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid
Authors of publication	Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2023
a	7.418 ± 0.0006 Å
b	8.2144 ± 0.0006 Å
c	28.77 ± 0.002 Å
α	90°
β	97.099 ± 0.007°
γ	90°
Cell volume	1739.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1231
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
179595 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/59.	4505957.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505957.cif
57423	2012-05-18	cif/ Adding structures of 4505957 via cif-deposit CGI script.	4505957.cif