Carbutamide (C11H17N3O3S)의 결정 및 분자구조

The Crystal and Molecular Structure of Carbutamide, C11H17N303S

The structure of 1-butyl-3-sulfanyl urea, C11H17N303S, carbutamide has been determined from 575 significant independent reflections collected on an automated four-circle diffractometer. The crystals are orthorhombic, space group, P212121, Z=4, with unit cell dimensions a=9.257 (2), b=9.928 (2), c=15.287 (3) Angstroem. The structure was solved by the direct methods and refined by least-squares procedure to a final R value of 0.062. Features of the structure include layers of molecules joined by N-H....0 hydrogen bond distances ranging from 2.745 to 3.100Angstroem involved in a bifurcated hydrogen bond across two fold screw along a and b axes. The atoms forming the urea system are essentially planar.