5-Bromo-1,2,4-triazolo[1,5-a]pyrimidine

Maryam Gilandoust and Harsha, K. B. and Madan Kumar, S. and Rakesh, K. S. and Lokanath, N. K. and Byrappa, K. and Rangappa, K. S. (2016) 5-Bromo-1,2,4-triazolo[1,5-a]pyrimidine. IUCrData, 1 (12). x161944. ISSN 2414-3146

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Abstract

In the title compound, C\sb 5H\sb 3BrN\sb 4, the almost planar triazolo\-pyrimidine ring system (r.m.s. deviation = 0.014Å) carries a bromo substituent at the 5-position. In the crystal, C—-H⋅sN hydrogen bonds form inversion dimers enclosing \it R\sb 2\sp 2(8) rings and also link mol\-ecules into \it C(5) chains along the \it c-axis direction. Br⋅sN halogen bonds 3.185(4){\AA}, {$\pi$}{--}{$\pi$} stacking inter{\-}actions, centroid-to-centroid separation 3.663(3){\AA} and C{---}Br{$\cdots$}{$\pi$} contacts Br{$\cdots$}{\it Cg} = 3.7881(17){\AA} are also found and combine with the C{---}H{$\cdots$}N hydrogen bonds to stack the mol{\-}ecules along the {\it a}-axis direction.

Item Type:	Article
Uncontrolled Keywords:	crystal structure, triazolo1,5-apyrimidine derivatives, hydrogen bonds, Br...N halogen bonds, pi-pi stacking interactions
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Manjula P Library Assistant
Date Deposited:	15 Jun 2019 09:18
Last Modified:	22 Jun 2022 06:06
URI:	http://eprints.uni-mysore.ac.in/id/eprint/3128

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