Synthesis and crystal structure of 4-(p-methoxyphenyl)-3, 5-bis(4-pyridyl)-1,2,4-triazole

Citation
Dr. Zhu et al., Synthesis and crystal structure of 4-(p-methoxyphenyl)-3, 5-bis(4-pyridyl)-1,2,4-triazole, J CHEM CRYS, 30(6), 2000, pp. 429-432
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
ISSN journal
10741542 → ACNP
Volume
30
Issue
6
Year of publication
2000
Pages
429 - 432
Database
ISI
SICI code
1074-1542(200006)30:6<429:SACSO4>2.0.ZU;2-1
Abstract
The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)1,2,4-triazole has been synthesiz ed and its crystal structure has been determined by X-ray diffraction metho ds. It crystallizes in the monoclinic space group P2(1)/n, with a = 12.5832 (6) Angstrom, b = 7.0512(5) Angstrom, c = 18.4669(12) Angstrom, beta = 96.8 26(1)degrees, and D-calc = 1.345 g cm(-1) for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that th eir planes are inclined toward opposite directions with respect to the tria zole ring.