Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry


Crystal Structure of 2-[2-(4-Methylphenyl)Ethenyl]-1,3-Benzothiazole

Author(s): Sivakumar M, Rajavelu K, Rajakumar P, Aravindhana S

Single crystal x-ray diffraction analysis reveals that the compound 2-[2-(4-Methylphenyl)ethenyl]-1,3-benzothiazole crystallizes in Orthorhombic system with space group Pc21b and the calculated lattice parameters are a=7.5371(2)Å, b=10.4767(3)Å, c=33.0684(5)Å, α=90°, β=90° and γ=90°. In the title compound the asymmetric unit contains two molecules. The dihedral angle between the benzothiazole ring and toluene ring is 9.3(3)° and 8.3(3)° in molecule A and B, respectively. The crystal packing is stabilized by intramolecular C-H…S type of hydrogen bond. In the crystal the two molecules are held together by C-H...π interactions in addition to Van Der Waals forces.