N-H center dot center dot center dot N and C-H center dot center dot center dot pi interactions in 4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole

SAHIN, Onur; BUYUKGUNGOR, Orhan; SASMAZ, Selami; Gumrukcuoglu, NURHAN; KANTAR, Cihan

doi:10.1107/s0108270106037668

N-H center dot center dot center dot N and C-H center dot center dot center dot pi interactions in 4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole

Atıf İçin Kopyala

SAHIN O., BUYUKGUNGOR O., SASMAZ S., Gumrukcuoglu N., KANTAR C.

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, cilt.62, 2006 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 62
Basım Tarihi: 2006
Doi Numarası: 10.1107/s0108270106037668
Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Karadeniz Teknik Üniversitesi Adresli: Hayır

Özet

The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)degrees, respectively. In (I), molecules are linked principally by N-(HN)-N-... hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R-4(4)(20) and R-2(4)(10) rings which link to give a three-dimensional network of molecules. The hydrogen bonding is supported by two different C-H-...pi interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C-H-...pi interactions produce R-3(4)(15) and R-4(4)(21) rings.