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The Synthesis and Structure of 2-Amino-4,6-dimethylpyrimidine 2-Hydroxybenzoate

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Abstract

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) Å, b = 20.246(4) Å, c = 9.2029(17) Å, β = 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···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···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···O3 hydrogen bond to form a eight-membered ring with graph-set notation R 12 (8). The C5 and O1 through hydrogen bond forms a supramolecular chain along the b-axis, which is further strengthened by O1–H1···O3 hydrogen bond, bridging the hydroxide radical and carboxyl via hydrogen bonded rings, R 11 (6).

Index Abstract

A novel compound, 2-amino-4,6-dimethylpyrimidium 2-hydroxybenzoate was obtained and its structure was studied by single crystal X-ray diffraction. This compound crystallized in a monoclinic system; space group P2(1)/n with the unit cell parameters a = 7.5380(14) Å, b = 20.246(4) Å, c = 9.2029(17) Å, β = 108.594(3), V = 1331.2(4), Z = 4.

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Acknowledgments

The authors acknowledge the financial support from the Natural Science Foundation of China no. 50572041, the Natural Science Foundation of Shandong Province under the Grant no. Y2007F64, the science item of Shandong Province under the Grant no. 2006GG2203014 and the Educational Office Foundation of Shandong Province under the Grant no. J06A02 and the Theoretical Chemistry Institute of Shandong University.

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Authors and Affiliations

  1. College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao, 266061, Shandong, People’s Republic of China

    Zhenjiang Li & June Huang

  2. Key Laboratory of Eco-chemical Engineering, Ministry of Education, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao, 266042, People’s Republic of China

    Alan Meng

Authors
  1. Zhenjiang Li
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  2. June Huang
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  3. Alan Meng
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Correspondence to Zhenjiang Li.

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Li, Z., Huang, J. & Meng, A. The Synthesis and Structure of 2-Amino-4,6-dimethylpyrimidine 2-Hydroxybenzoate. J Chem Crystallogr 41, 481–484 (2011). https://doi.org/10.1007/s10870-010-9905-5

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  • DOI: https://doi.org/10.1007/s10870-010-9905-5

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