Crystal structure of 3-benzyl-4-(3-methyl-3-phenylcyclobut-1-yl)-1,3-thiazole-2(3H)-thione

Şen B., Barim E., Kirilmis C., Aygün M.

Asian Journal of Chemistry, cilt.28, sa.3, ss.631-633, 2016 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 28 Sayı: 3
  • Basım Tarihi: 2016
  • Doi Numarası: 10.14233/ajchem.2016.19440
  • Dergi Adı: Asian Journal of Chemistry
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.631-633
  • Anahtar Kelimeler: 1,3-Thiazole-2(3H)-thione, Crystal structure, Cyclobutane
  • Dokuz Eylül Üniversitesi Adresli: Evet

Özet

The title compound 3-benzyl-4-(3-methyl-3-phenylcyclobut-1-yl)-1,3-thiazole-2(3H)-thione having m.f. C21H21NS2, crystallizes in the orthorhombic space group Pna21, Z = 4 with a = 10.1027(5) Å, b = 17.3913(8) Å, c = 10.8832(6) Å, V = 1912.17(17) Å3 and Dcalc = 1.221 g/cm3. In the title molecule, the cyclobutane ring is puckered, with a dihedral angle of 23.78(18)° between the two planes. The thiazole ring makes dihedral angles of 84.23(11), 55.58(16) and 88.08(10)°, respectively, with the benzene, cyclobutane and phenyl rings. Weak intramolecular C-H⋯S and C-H⋯N hydrogen-bonding interactions are present in the molecule. Each of these interactions forms a fivemembered ring. The supramolecular aggregation is completed by two types of C-H⋯π interactions involving the H atoms from C5 and C20 atoms.