Crystallography Open Database

Information card for entry 1545833

Preview

Coordinates	1545833.cif
Original IUCr paper	HTML

Structure parameters

Common name	ACETAZOLAMIDE;DMSO
Formula	C5 H9 N4 O3.5 S2.5
Calculated formula	C5 H9 N4 O3.5 S2.5
SMILES	S(=O)(=O)(N)c1sc(nn1)NC(=O)C.S(=O)(C)C
Title of publication	Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides
Authors of publication	Bolla, Geetha; Nangia, Ashwini
Journal of publication	IUCrJ
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	152 - 160
a	52.62 ± 0.03 Å
b	4.816 ± 0.002 Å
c	17.814 ± 0.009 Å
α	90°
β	106.785 ± 0.013°
γ	90°
Cell volume	4322 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0433
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1545833.cif
195746	2017-04-25	cif/ Adding structures of 1545830, 1545831, 1545832, 1545833, 1545834, 1545835, 1545836, 1545837, 1545838 via cif-deposit CGI script.	1545833.cif