Crystal Structure 4-(2,4-Dihydroxybenzylideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one

Ustabas R., Unluer D., Kor G.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.41, no.8, pp.1237-1240, 2011 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 41 Issue: 8
  • Publication Date: 2011
  • Doi Number: 10.1007/s10870-011-0081-z
  • Journal Name: JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1237-1240
  • Karadeniz Technical University Affiliated: Yes

Abstract

The title compound (I), 4-(2,4-dihydroxybenzlideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one was characterized by single crystal X-ray diffraction. This crystal is monoclinic, space group P2(1)/c with a = 10.1447(7) , b = 7.0972(3) , c = 14.6726(10) , beta = 98107(5)A degrees, V = 1045.85(11) (3), Z = 4, D (c) = 1.487 g/cm(3), F (00) = 488, R = 0.039 and wR = 0.1025, S = 1.003, T = 293 (2) K. The title molecule is planar: the angle between the triazole ring and benzene ring is 179.1(1)A degrees. The crystal structure contains two intramolecular (O-H center dot center dot center dot N and C-H center dot center dot center dot O) and three intermolecular interaction (O-H center dot center dot center dot N, N-H center dot center dot center dot O, and C-H center dot center dot center dot O). In addition, there is also pi-pi interactions.