Crystallography Open Database

Information card for entry 2206702

2206701 << 2206702 >> 2206703

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Common name	Hydrochlorothiazide form II
Formula	C7 H8 Cl N3 O4 S2
Calculated formula	C7 H8 Cl N3 O4 S2
SMILES	Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1
Title of publication	Powder study of hydrochlorothiazide form II
Authors of publication	Florence, Alastair; Johnston, Andrea; Fernandes, Philippe; Shankland, Kenneth; Stevens, Howard N. E.; Osmundsen, Sigrunn; Mullen, Alexander B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	o2798 - o2800
a	9.4884 ± 0.0005 Å
b	8.3334 ± 0.0004 Å
c	15.1309 ± 0.0007 Å
α	90°
β	113.209 ± 0.0019°
γ	90°
Cell volume	1099.59 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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
Goodness-of-fit parameter for all reflections	1.641
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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