Dicyclohexylammonium O,O′-diphenyl phosphate, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 2 P(O)(O)]

Spectroscopic study, crystal structure, and hirshfeld surface analysis

Samira Nazari Moghaddam, Akbar Raissi Shabari, Fahimeh Sabbaghi, Mehrdad Pourayoubi, Abdul Ajees Abdul Salam

Research output: Contribution to journalArticle

Abstract

The title salt, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 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…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…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, 1 H NMR, 13 C{ 1 H} NMR, 31 P{ 1 H} NMR, and mass) are studied.

Original languageEnglish
Article number1051
JournalMolBank
Volume2019
Issue number1
DOIs
Publication statusPublished - 01-03-2019

Fingerprint

Surface analysis
Dermatoglyphics
Anions
Cations
Hydrogen
phosphates
Salts
Crystal structure
Phosphates
Nuclear magnetic resonance
Electrons
nuclear magnetic resonance
crystal structure
interactions
Hydrogen bonds
assembly
plots
methylidyne
hydrogen bonds
anions

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry

Cite this

@article{7541fa0e38844477b307840f95929ad4,
title = "Dicyclohexylammonium O,O′-diphenyl phosphate, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 2 P(O)(O)]: Spectroscopic study, crystal structure, and hirshfeld surface analysis",
abstract = "The title salt, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 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…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…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, 1 H NMR, 13 C{ 1 H} NMR, 31 P{ 1 H} NMR, and mass) are studied.",
author = "Moghaddam, {Samira Nazari} and Shabari, {Akbar Raissi} and Fahimeh Sabbaghi and Mehrdad Pourayoubi and Salam, {Abdul Ajees Abdul}",
year = "2019",
month = "3",
day = "1",
doi = "10.3390/M1051",
language = "English",
volume = "2019",
journal = "MolBank",
issn = "1422-8599",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "1",

}

Dicyclohexylammonium O,O′-diphenyl phosphate, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 2 P(O)(O)] : Spectroscopic study, crystal structure, and hirshfeld surface analysis. / Moghaddam, Samira Nazari; Shabari, Akbar Raissi; Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Salam, Abdul Ajees Abdul.

In: MolBank, Vol. 2019, No. 1, 1051, 01.03.2019.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Dicyclohexylammonium O,O′-diphenyl phosphate, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 2 P(O)(O)]

T2 - Spectroscopic study, crystal structure, and hirshfeld surface analysis

AU - Moghaddam, Samira Nazari

AU - Shabari, Akbar Raissi

AU - Sabbaghi, Fahimeh

AU - Pourayoubi, Mehrdad

AU - Salam, Abdul Ajees Abdul

PY - 2019/3/1

Y1 - 2019/3/1

N2 - The title salt, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 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…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…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, 1 H NMR, 13 C{ 1 H} NMR, 31 P{ 1 H} NMR, and mass) are studied.

AB - The title salt, [(C 6 H 11 ) 2 NH 2 ][(C 6 H 5 O) 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…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…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, 1 H NMR, 13 C{ 1 H} NMR, 31 P{ 1 H} NMR, and mass) are studied.

UR - http://www.scopus.com/inward/record.url?scp=85064115276&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85064115276&partnerID=8YFLogxK

U2 - 10.3390/M1051

DO - 10.3390/M1051

M3 - Article

VL - 2019

JO - MolBank

JF - MolBank

SN - 1422-8599

IS - 1

M1 - 1051

ER -