2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate

Bohari Mohd. Yamin, Norsakina Z. Zulkifli

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The title salt, C 9H 18NO +·C 7H 3ClNO 4 -, was obtained as an unexpected product of the reaction of 4-chloro-3-nitro-benzoyl isothio-cyanate with pyrrolidine. The six-membered ring of the 4-oxopiperidinium cation adopts a chair conformation. In the crystal structure, two cations and three anions are linked together by inter-molecular N - H⋯O and C - H⋯O hydrogen bonds and arranged diagonally along the ac face.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number8
DOIs
Publication statusPublished - Aug 2011

Fingerprint

Nitrobenzoates
Cations
Positive ions
Cyanates
cyanates
cations
seats
Anions
Conformations
Hydrogen bonds
Negative ions
Salts
Crystal structure
hydrogen bonds
anions
salts
crystal structure
rings
products
pyrrolidine

Keywords

  • data-to-parameter ratio = 15.0
  • mean σ(CC) = 0.003 Å
  • R factor = 0.047
  • single-crystal X-ray study
  • T = 298 K
  • wR factor = 0.126

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate. / Mohd. Yamin, Bohari; Zulkifli, Norsakina Z.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 8, 08.2011.

Research output: Contribution to journalArticle

@article{8b27ee7388ef4df395e1b3afebe70558,
title = "2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate",
abstract = "The title salt, C 9H 18NO +·C 7H 3ClNO 4 -, was obtained as an unexpected product of the reaction of 4-chloro-3-nitro-benzoyl isothio-cyanate with pyrrolidine. The six-membered ring of the 4-oxopiperidinium cation adopts a chair conformation. In the crystal structure, two cations and three anions are linked together by inter-molecular N - H⋯O and C - H⋯O hydrogen bonds and arranged diagonally along the ac face.",
keywords = "data-to-parameter ratio = 15.0, mean σ(CC) = 0.003 {\AA}, R factor = 0.047, single-crystal X-ray study, T = 298 K, wR factor = 0.126",
author = "{Mohd. Yamin}, Bohari and Zulkifli, {Norsakina Z.}",
year = "2011",
month = "8",
doi = "10.1107/S1600536811025074",
language = "English",
volume = "67",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "8",

}

TY - JOUR

T1 - 2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate

AU - Mohd. Yamin, Bohari

AU - Zulkifli, Norsakina Z.

PY - 2011/8

Y1 - 2011/8

N2 - The title salt, C 9H 18NO +·C 7H 3ClNO 4 -, was obtained as an unexpected product of the reaction of 4-chloro-3-nitro-benzoyl isothio-cyanate with pyrrolidine. The six-membered ring of the 4-oxopiperidinium cation adopts a chair conformation. In the crystal structure, two cations and three anions are linked together by inter-molecular N - H⋯O and C - H⋯O hydrogen bonds and arranged diagonally along the ac face.

AB - The title salt, C 9H 18NO +·C 7H 3ClNO 4 -, was obtained as an unexpected product of the reaction of 4-chloro-3-nitro-benzoyl isothio-cyanate with pyrrolidine. The six-membered ring of the 4-oxopiperidinium cation adopts a chair conformation. In the crystal structure, two cations and three anions are linked together by inter-molecular N - H⋯O and C - H⋯O hydrogen bonds and arranged diagonally along the ac face.

KW - data-to-parameter ratio = 15.0

KW - mean σ(CC) = 0.003 Å

KW - R factor = 0.047

KW - single-crystal X-ray study

KW - T = 298 K

KW - wR factor = 0.126

UR - http://www.scopus.com/inward/record.url?scp=80051515115&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=80051515115&partnerID=8YFLogxK

U2 - 10.1107/S1600536811025074

DO - 10.1107/S1600536811025074

M3 - Article

VL - 67

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 8

ER -