TITLE:
Crystal and Molecular Structure of 2-Amino-3-Ethyl Carboxamido-4-Metyl-5-Carboxy Ethyl Thiophene
AUTHORS:
Dhananjay Dey, Venugopal Prakash, Vasu, Janardhanan Saravanan, Deepak Chopra
KEYWORDS:
Crystal; Molecular Conformation; Intermolecular Interactions; Spectroscopy; Diffraction
JOURNAL NAME:
Crystal Structure Theory and Applications,
Vol.1 No.3,
December
31,
2012
ABSTRACT: The crystal and molecular structure of 2-Amino-3-ethyl carboxamido-4-methyl-5-carboxy ethyl thiophene (C11H16N2O3S) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated inter and intra-molecular hydrogen bonding and related weak interactions present in this molecule. This compound crystallizes in the monoclinic space group P21/c with cell parameters, a = 8.1344(3) , b = 13.7392(4) , c = 11.4704(4) , β = 100.769(2), V = 1259.36 (7) 3, D = 1.352 g·cm–3, Z = 4. The molecular geometry is stabilized by intra-molecular N-H…O=C and C-H…O interactions along with intramolecular C-H…N and C-H…O interactions which contribute towards the stability of the crystal packing.