International Journal of Advances in Science, Engineering and Technology(IJASEAT)
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Paper Title
Crystal Structure of 2-amino-N-(2-fluorophenyl)-4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxamide

Abstract
Title compound was synthesized and its crystal structure was investigated by X-ray crystallography. The crystal structure analysis showed that the compound 2-amino-N-(2-fluorophenyl)-4, 5, 6, 7-tetrahydro-1-benzothiophene-3- carboxamide (2a) crystallizes in monoclinic system under the space group Cc with cell parameters, a = 11.213(13) Å, b = 14.231(17) Å, c = 9.582(15) Å, β = 116.76(3)° and Z=4. The crystal structure was solved by direct methods and refined by full-matrix least squares on F2 to a final residual value of R1 = 0.0379. The dihedral angle between the planes of benzothiophene and phenyl ring is 3.74(14)º. The benzothiophene moiety adopts a half chair conformation. The carboximidamide unit is in anti-periplanar conformation with respect to the benzothiophene moiety, as indicated by the torsion angle value of 161.9(3)°. The crystal structure is 2 stabilized by an intramolecular C-H...O and intermolecular N-H...O hydrogen bonds. Keywords - Component; Formatting; Style; Styling; Insert (key words)


Author - Madhura T K, , Chandra Kumar K, Rajesh B M, Umesha V, Chandra

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