R. Thirumurugan, K. Vengadesan , S. Shanmuga Sundara Raj, G. Shanmugam, H.-K. Fun: Crystal Structure of N, N'-Bis(3-(o-dimethylaminoimino-ethyl) -2-hydroxy-5-methyl)-benzylpiperazine

Crystal Research and Technology

Cryst. Res. Technol. 35 (2000) 987 - Abstract -

R. Thirumurugan, K. Vengadesan , S. Shanmuga Sundara Raj*, G. Shanmugam, H.-K. Fun*

Department of Crystallography and Biophysics,University of Madras, Guindy Campus, India
*X-ray Crystallography Unit, School of Physics ,Universiti Sains, Penang, Malaysia

Crystal Structure of N, N'-Bis(3-(o-dimethylaminoimino-ethyl) -2-hydroxy-5-methyl)-benzylpiperazine

The structure of the synthesized title compound, C₃₀H₄₆N₆O₂ , was solved by using X-ray diffraction techniques. The compound crystallized in monoclinic space group P2₁/n with cell dimensions a = 14.0629(7), b = 6.5696(3), c = 17.7948(8)Å, beta = 111.35(2)º, V = 1531.2(1)Å³, Z = 2, D_cal = 1.134 Mgm^-3 and T = 293(2)K. The molecule possesses a center of symmetry, and hence, there is half a molecule in the asymmetric unit. The piperazine ring adopts chair conformation with the substituents at the equatorial position, subtending a dihedral angle of 88.87(1)º with the phenyl ring. The phenyloxy hydrogen is involved in an intramolecular O-H...N type of hydrogen bond.

Keywords: piperazine, crystal structure, binucleating ligand, model compound, metalloproteins, magnetic exchange

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