Crystallography Open Database

Information card for entry 4510594

Preview

Coordinates	4510594.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lornoxicam Piperazine salt
Chemical name	Piperazinium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)
Formula	C15 H16 Cl N4 O4 S2
Calculated formula	C15 H15 Cl N4 O4 S2
Title of publication	Lornoxicam Salts: Crystal Structures, Conformations, and Solubility
Authors of publication	Suresh, Kuthuru; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	2945
a	13.2445 ± 0.0009 Å
b	13.0698 ± 0.0007 Å
c	11.6414 ± 0.0008 Å
α	90°
β	111.547 ± 0.008°
γ	90°
Cell volume	1874.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0758
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510594.cif
119065	2014-07-05	cif/ Updating files of 4510592, 4510593, 4510594, 4510595, 4510596 Original log message: Adding full bibliography for 4510592--4510596.cif.	4510594.cif
112928	2014-05-07	cif/ Adding structures of 4510594 via cif-deposit CGI script.	4510594.cif