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Molbank 2019, 2019(1), M1051; https://doi.org/10.3390/M1051

Dicyclohexylammonium O,O’-Diphenyl Phosphate, [(C6H11)2NH2][(C6H5O)2P(O)(O)]: Spectroscopic Study, Crystal Structure, and Hirshfeld Surface Analysis

1
Department of Chemistry, North Tehran Branch, Islamic Azad University, Tehran 1651153311, Iran
2
Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan 45156-58145, Iran
3
Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad 9177948974, Iran
4
Department of Atomic and Molecular Physics, Centre for Applied Nanosciences, Manipal Institute of Technology Campus, Manipal Academy of Higher Education, Manipal, Karnataka 576 104, India
*
Authors to whom correspondence should be addressed.
Received: 27 January 2019 / Revised: 22 February 2019 / Accepted: 26 February 2019 / Published: 2 March 2019
(This article belongs to the Section Structure Determination)
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Abstract

The title salt, [(C6H11)2NH2][(C6H5O)2P(O)(O)], crystallizes in the chiral space group P212121, composed of achiral cation and anion components. The strong charge-assisted N–H…O hydrogen bonds build a linear assembly along the a axis, including a non-centrosymmetric C22(6) chain graph-set motif. The intra and intermolecular C–H…O interactions as well as the C–H…π-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, 1H NMR, 13C{1H} NMR, 31P{1H} NMR, and mass) are studied. View Full-Text
Keywords: phosphate; X-ray structure analysis; chiral space group; charge-assisted hydrogen bond; NMR phosphate; X-ray structure analysis; chiral space group; charge-assisted hydrogen bond; NMR
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Moghaddam, S.N.; Shabari, A.R.; Sabbaghi, F.; Pourayoubi, M.; Salam, A.A.A. Dicyclohexylammonium O,O’-Diphenyl Phosphate, [(C6H11)2NH2][(C6H5O)2P(O)(O)]: Spectroscopic Study, Crystal Structure, and Hirshfeld Surface Analysis. Molbank 2019, 2019, M1051.

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