Powder study of hydro­chloro­thia­zide–methyl acetate (1/1) | Zendy

Florence Alastair J. | Zendy; Johnston Andrea | Zendy; Shankland Kenneth | Zendy

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Powder study of hydrochlorothiazide–methyl acetate (1/1)

Author(s) -

Florence Alastair J.,

Johnston Andrea,

Shankland Kenneth

Publication year - 2005

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536805025651

Subject(s) - hydrochlorothiazide , crystallite , rietveld refinement , crystallization , resolution (logic) , powder diffraction , crystallography , hydrogen bond , crystal structure , annealing (glass) , materials science , chemistry , organic chemistry , molecule , metallurgy , computer science , medicine , artificial intelligence , blood pressure , radiology

A polycrystalline sample of the title compound, C 7 H 8 ClN 3 O 4 S 2 ·C 3 H 6 O 2 , was produced during an automated parallel crystallization search on hydrochlorothiazide (HCT). The crystal structure was solved by simulated annealing from laboratory X‐ray powder diffraction data collected at room temperature to 1.75 Å resolution. Subsequent Rietveld refinement yielded an R wp value of 0.0182 to 1.54 Å resolution. The compound crystallizes with one molecule of HCT and one of methyl acetate in the asymmetric unit and displays an extensive hydrogen‐bonding network.

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