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5-Bromo-1,2,4-triazolo[1,5-a]pyrimidine
| Content Provider | Directory of Open Access Journals (DOAJ) |
|---|---|
| Author | Maryam Gilandoust K. B. Harsha S. Madan Kumar K. S. Rakesh N. K. Lokanath K. Byrappa K. S. Rangappa |
| Abstract | In the title compound, C5H3BrN4, the almost planar triazolopyrimidine ring system (r.m.s. deviation = 0.014 Å) carries a bromo substituent at the 5-position. In the crystal, C—H...N hydrogen bonds form inversion dimers enclosing R22(8) rings and also link molecules into C(5) chains along the c-axis direction. Br...N halogen bonds [3.185 (4) Å], π–π stacking interactions, centroid-to-centroid separation [3.663 (3) Å] and C—Br...π contacts [Br...Cg = 3.7881 (17) Å] are also found and combine with the C—H...N hydrogen bonds to stack the molecules along the a-axis direction. |
| Related Links | http://scripts.iucr.org/cgi-bin/paper?S2414314616019441 |
| ISSN | 24143146 |
| DOI | 10.1107/S2414314616019441 |
| Journal | IUCrData |
| Issue Number | 12 |
| Volume Number | 1 |
| Language | English |
| Publisher | International Union of Crystallography |
| Publisher Date | 2016-01-01 |
| Publisher Place | United Kingdom |
| Access Restriction | Open |
| Subject Keyword | Crystallography Crystal Structure Triazolo[1,5-a]pyrimidine Derivatives Hydrogen Bonds Br...n Halogen Bonds Π–π Stacking Interactions |
| Content Type | Text |
| Resource Type | Article |
| Subject | Organic Chemistry Analytical Chemistry Inorganic Chemistry |
