Crystallography Open Database

Information card for entry 4505961

Preview

Coordinates	4505961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cl2 N O2
Calculated formula	C14 H10 Cl2 N 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	8.5209 ± 0.0011 Å
b	8.8775 ± 0.0011 Å
c	9.1986 ± 0.0012 Å
α	104.265 ± 0.002°
β	103.337 ± 0.002°
γ	91.569 ± 0.002°
Cell volume	653.56 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1165
Residual factor for significantly intense reflections	0.1106
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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.	4505961.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505961.cif
57431	2012-05-18	cif/ Adding structures of 4505961 via cif-deposit CGI script.	4505961.cif