AI Article Synopsis
- The compound C(13)H(9)BrF(3)N(5)O features two independent molecules in its crystal structure, which includes pyrimidine and triazine rings.
- Pyrimidine rings are planar with minimal deviations, while triazine rings have a unique flattened half-boat shape with bromophenyl rings positioned in a flagpole arrangement.
- The overall stability of the crystal is enhanced by a 3D network of hydrogen bonds involving nitrogen and other elements (N-H⋯N, N-H⋯O, N-H⋯F).
Article Abstract
The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H⋯N, N-H⋯O and N-H⋯F hydrogen bonds.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969032 | PMC |
| http://dx.doi.org/10.1107/S1600536809007612 | DOI Listing |
Publication Analysis
Top Keywords
2-amino-4-4-bromo-phen-yl-8-trifluoro-methyl-34-dihydropyrimido[12-a][135]triazin-65h-one title
4
title compound
4
compound c13h9brf3n5o
4
c13h9brf3n5o crystallizes
4
crystallizes independent
4
independent mol-ecules
4
mol-ecules asymmetric
4
asymmetric unit
4
unit pyrimidine
4
pyrimidine rings
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!