论文成果
The Synthesis and Structure of 2-Amino-4,6-dimethylpyrimidine 2-Hydroxybenzoate
- 发布时间：2023-10-19
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- 关键字：Single crystal X-ray diffraction; Hydrogen bonding; Pyrimidine; Crystal structure
- 摘要：The title compound, 2-amino-4,6-dimethylpyrimidine 2-hydroxybenzoate was studied by X-ray diffraction methods. This compound crystallized in a monoclinic system; space group P2(1)/n with the unit cell parameters a = 7.5380(14) , b = 20.246(4) , c = 9.2029(17) , beta = 108.594(3), V = 1331.2(4), Z = 4. The hydroxybenzoic acid group has been protonated by the aminopyrimidine moiety. The neighbouring two pyrimidine are bridged by N3-H3A center dot center dot center dot N2 hydrogen bonds, and the constituting dimers are linked together to form a discrete unit, these units, in turn, are linked together by C-H center dot center dot center dot O interactions. The protonated N1 atom is attached to the carboxyl group (O2) of the neighbouring phenyl by a hydrogen bond, together with the N3-H3B center dot center dot center dot O3 hydrogen bond to form a eight-membered ring with graph-set notation R (2) (1) (8). The C5 and O1 through hydrogen bond forms a supramolecular chain along the b-axis, which is further strengthened by O1-H1 center dot center dot center dot O3 hydrogen bond, bridging the hydroxide radical and carboxyl via hydrogen bonded rings, R (1) (1) (6).
- 卷号：41
- 期号：4
- 是否译文：否