CRYSTAL AND MOLECULAR STRUCTURE OF 2-(3,4,5-TRYMETHOXY PHENYL METHENAMINO)3-N-(o-TOLYLCARBOXAMIDO)-4,5-DIMETHYL THIOPHENE

K.A.Nirmala,^a Vasu,^b S. Mohan,^c J.Saravanan,^d T. Narasimhamurthy,^e and Ansuman Ray Chaudhuri ^f

^aReader in Physics, Bangalore University, Bangalore-560056 ; ^bLecturer in Physics, Vivekananda Degree College, Bangalore-560056; ^cPrincipal P.E.S. College of Pharmacy, Bangalore; ^dAsst. Prof. M.S. Ramaiah College of Pharmacy, Bangalore; ^eTechnical Officer, Bio-informatics, I I Sc.; ^f Research Scholar, SSCU , I I Sc. (nirmalaka47@yahoo.com)

The title compound C₂₄H₂₆N₂O₄S₁ is a derivative of 2-amino-3-N-o-tolyl carbaxamide-4,5 dimethyl thiophene which possess antibacterial, antifungal activities. The compound was crystallized from Di-methyl formamide and ethanol by slow evaporation method at room temperature. After 10days yellowish crystals were obtained. The space group was determined as p2₁/n in the monoclinic system with lattice parameters a=7.169(1)A^o, b=16.039(3) A^o, c=19.321(3) A^o, β=90.121(3)^o ,with number of atoms per unit cell z=4, density calculated=1.31mg/m³, volume=2221.45(3)A^o3. The structure was determined by direct methods using SHELXS97 and refined to a final R-value 0.039 by full matrix least square method. The compound was also confirmed by its spectral data like IR and NMR. The interesting results head-head interaction and head-tail interaction of the structure and conformation will be discussed in the presentation.

We kindly acknowledge Prof. T.N.Guru Row SSCU, I I Sc., Bangalore and Department

of Science and Technology for the data collection on the CCD facility set up under IRFA-DST programme.