Abstract
Mw=403,2 amu,P21/c,a 18.944(8) Å,b=8.540(4) Å,c=10.794(7) Å,β=98.11(4)°,V=1729(2) Å3,Z=4,D x=1.548 g·cm−3,μ (MoKα)=4.26 cm−1; m.p. 202–204°C. FinalR=0.083 for 1632 independent observed reflections having 2θ (Mo Kά)<50° andI>2 σ(I). The molecule has an extended overall nonplanar conformation with onecis and twotrans-C(O)-NH- units and intramolecular hydrogen bridges. The relatively highR factor is on account of conformational disorder of the trifluoromethyl and chloro substituents of the 2-chloro-3,3,3-trifluoropropenyl moiety.
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Bart, J.C.J., Calcaterra, M., Cavigiolo, W. et al. Structure of the larvicideN-(2-chlorobenzoyl)-N′-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]urea, C17H11Cl2F3O2N2 . Journal of Crystallographic and Spectroscopic Research 19, 99–108 (1989). https://doi.org/10.1007/BF01160847
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DOI: https://doi.org/10.1007/BF01160847