Crystal structure of a new organic dihydrogenomonophosphate (C6H8N3O)2(H2PO4)2 |
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| Affiliation: | 1. Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun 130024, PR China;2. Department of Chemistry, Yili Normal University, Yining, Xingjiang 835000, PR China;3. College of Chemistry, Jilin Normal University, Siping 136000, PR China;1. Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155, China;2. School of Pharmacy, Jiamusi University, Jiamusi, Heilong Jiang 154007, China;1. Key Laboratory of Polyoxometalate Chemistry of Henan Province, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004, PR China;2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, PR China |
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| Abstract: | Chemical preparation, X-ray single-crystal, thermal behavior, and IR spectroscopy investigations are given for a new organic cation dihydrogenomonophosphate (C6H8N3O)2(H2PO4)2 (denoted IAHP) in the solid state. This compound crystallizes in the orthorhombic space group P212121. The unit cell dimensions are: a = 7.422(3) Å, b = 12.568(5) Å, c = 20.059(8) Å with V = 1871.1(13) Å3 and Z = 4. The structure has been solved using direct method and refined to a reliability R factor of 0.029. The atomic arrangement can be described as inorganic layers of H2PO4− anions between which are located the organic groups (C6H8N3O)+ through multiple hydrogen bonds. |
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