Crystallography Open Database

Information card for entry 2105755

Preview

Coordinates	2105755.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H24 Cl2 N8 O10 S4
Calculated formula	C18 H24 Cl2 N8 O10 S4
SMILES	Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.NC(=O)CCC(=O)N
Title of publication	Tuning solubility and stability of hydrochlorothiazide co-crystals
Authors of publication	Sanphui, Palash; Rajput, Lalit
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	81 - 90
a	17.857 ± 0.007 Å
b	10.363 ± 0.004 Å
c	14.548 ± 0.005 Å
α	90°
β	96.459 ± 0.004°
γ	90°
Cell volume	2675 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105755.cif
104719	2014-03-11	cif/ hkl/ Adding structures of 2105753, 2105754, 2105755, 2105756 via cif-deposit CGI script.	2105755.cif