Crystal Structure of [1-(2-phenyloxy)N[N-cyclohexylthiouryl)] ethylamine- (1,10-phenanthrolinyl)]copper(II) by P. Ambalavanan, K. Palani, M. N. Ponnuswamy

Crystal Research and Technology

Cryst. Res. Technol. 37 (2002) 1249 - Abstract -

P. Ambalavanan, K. Palani, M. N. Ponnuswamy

Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai – 600 025, India

Crystal Structure of [1-(2-phenyloxy)N[N-cyclohexylthiouryl)] ethylamine- (1,10-phenanthrolinyl)]copper(II)

The title compound (C₂₇H₂₇CuN₅OS ) crystallizes in the orthorhombic space group Pbca with a = 11.1865(3)Å, b = 13.2006(3)Å, c = 34. 2304(1)Å, V = 5054.75(2)Å³, Z = 8, D_cal = 1.401 Mg/m³ at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.066 and wR = 0.146 using 4445 observed reflections. The Cu(II) ion has the distorted square pyramidal geometry. The cyclohexane ring adopts chair conformation, whereas the six-membered ring containing Cu atom exhibits sofa conformation. The molecules in the crystal are stabilized by N-H…O type of intermolecular hydrogen bond networks in addition van der Waals forces.

Keywords: crystal, conformation, cyclohexane, hydrogen bonding

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