Literature DB >> 16272606

6-phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole.

Muharrem Dinçer1, Namik Ozdemir, Ahmet Cetin, Ahmet Cansiz, Orhan Büyükgüngör.   

Abstract

The title compound, C(14)H(9)N(5)S, has been synthesized and characterized both spectroscopically and structurally. The triazolo-thiadiazole system, the pyridine ring and the phenyl ring are all planar. The plane of the triazolo-thiadiazole system forms dihedral angles of 1.53 (13) and 7.55 (12) degrees with the planes of the pyridine and phenyl rings, respectively. In the molecule, there are two intramolecular interactions of types C-H...N and C-H...S. Intermolecular C-H...N interactions involving a phenyl CH group and a triazole N atom lead to the formation of a one-dimensional chain. In the crystal structure, two types of pi-pi interactions affect the packing of the molecules. In addition, there are intermolecular non-bonded S...N contacts of 2.870 (2) A, which may cause steric hindrance.

Entities:  

Year:  2005        PMID: 16272606     DOI: 10.1107/S0108270105032403

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  4 in total

1.  Ethyl 5-[6-(furan-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazol-3-yl]-2,6-di-methylnicotinate.

Authors:  Dongliang Lu; Min Zhang; Liping Song; Qiwen Tan; Min Shao
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2007-12-06

2.  4-Bromo-benzoic acid-6-(4-bromo-phen-yl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole (1/1).

Authors:  Kamini Kapoor; Vivek K Gupta; Satya Paul; Seema Sahi; Rajni Kant
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-03-24

3.  Structural and Energetic Properties of Weak Noncovalent Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase Activity, Crystallography, and Computational Investigations.

Authors:  Lamya H Al-Wahaibi; Sekar Karthikeyan; Olivier Blacque; Amal A El-Masry; Hanan M Hassan; M Judith Percino; Ali A El-Emam; Subbiah Thamotharan
Journal:  ACS Omega       Date:  2022-09-16

4.  Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Authors:  Krishnaiah Vaarla; V Rajeswar Rao; Mehmet Akkurt
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2015-10-03
  4 in total

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