Dicyclohexylammonium O,O’-Diphenyl Phosphate, [(C6H11)2NH2][(C6H5O)2P(O)(O)]: Spectroscopic Study, Crystal Structure, and Hirshfeld Surface Analysis
Molbank(2019)
摘要
The title salt, [(C6H11)(2)NH2][(C6H5O)(2)P(O)(O)], crystallizes in the chiral space group P2(1)2(1)2(1), composed of achiral cation and anion components. The strong charge-assisted N-H center dot center dot center dot O hydrogen bonds build a linear assembly along the a axis, including a non-centrosymmetric C-2(2)(6) chain graph-set motif. The intra and intermolecular C-H center dot center dot center dot O interactions as well as the C-H center dot center dot center dot pi-electron ring interactions also exist in the crystal structure. Fingerprint plots are used for a detailed investigation of intermolecular interactions participating in the crystal packing. The spectroscopic features (IR, H-1 NMR, C-13{H-1} NMR, P-31{H-1} NMR, and mass) are studied.
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关键词
phosphate, X-ray structure analysis, chiral space group, charge-assisted hydrogen bond, NMR
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