Crystallography Open Database

Information card for entry 1568658

Preview

Coordinates	1568658.cif
Original IUCr paper	HTML

Structure parameters

Common name	Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride
Chemical name	2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride
Formula	C14 H14 Cl N3 O4 S2
Calculated formula	C14 H14 Cl N3 O4 S2
SMILES	[Cl-].s1c(C)c[nH+]c1NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
Title of publication	Meloxicam hydrochloride
Authors of publication	Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	3
Pages of publication	x230202
a	11.338 ± 0.0006 Å
b	10.7346 ± 0.0005 Å
c	14.5503 ± 0.001 Å
α	90°
β	109.43 ± 0.005°
γ	90°
Cell volume	1670.05 ± 0.17 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 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	0.0721
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	0.832
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281868 (current)	2023-03-14	cif/ Adding structures of 1568658 via cif-deposit CGI script.	1568658.cif