The Crystal and Molecular Structure of Carbutamide, ($C_11H_17N_3O_3S$)

Carbutamide ($C_11H_17N_3O_3S$)의 결정및 분자구조

The structure of 1-butyl-3-sulfanyl urea, ($C_{11}H_{17}N_{3}O_{3}S$) carbutamide has been determined from 575 significant independent reflections collected on an automated four-circle diffractometer. The crystals are orthorhomic, space group, $P2_{1}2_{1}2_{1}$, Z=4, with unit cell dimensions a=9.257 (2), b=9.928 (2), c=15.287 (3)${\AA}$. 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....O hydrogen bond distances ranging from 2.745 to 3.100${\AA}$ involved in a bifurcated hydrogen bond across two fold screw along a and b axes. The atoms forming the urea system are essentially planar.