Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



bt6917 scheme

Acta Cryst. (2013). E69, o1220    [ doi:10.1107/S160053681301828X ]

1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea

R. Santhakumari, S. Selvanayagam, K. Ramamurthi, N. Radha and B. M. Yamin

Abstract: In the title compound, C15H21ClN2OS, the central chromophore moiety (C2N2OS) is approximately planar, with a maximum deviation of -0.027 (1) Å, and is oriented at a dihedral angle of 86.7 (1)° with respect to the chlorophenyl ring. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation. In the crystal, molecules associate via N-H...S hydrogen bonds, forming inversion dimers with motif R22(8). These dimers are further connected by N-H...O hydrogen bonds, forming R22(12) dimers. As a result, hydrogen-bonded chains running along [110] are formed. C-H...S interactions also occur. The terminal two C atoms of the butyl chain are disordered over two positions with an occupancy ratio of 0.54:0.46.


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