3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile

Wedad M. Al-Adiwish, Wan Yaacob Wan Ahmad, D. Adan, Mohamed Ibrahim Mohamed Tahir, Mohammad Kassim

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

In the title compound, C9H12N4O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11)°with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) Å]. In the crystal, N - H⋯O and N - H⋯N hydrogen bonds and a weak C - H⋯O inter-action link the molecules into sheets lying parallel to (110).

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number12
DOIs
Publication statusPublished - Dec 2011

Fingerprint

piperidine
Dihedral angle
seats
Conformations
dihedral angle
Hydrogen bonds
hydrogen bonds
deviation
Crystals
Molecules
rings
crystals
molecules
pyrazole

Keywords

  • data-to-parameter ratio = 14.2
  • mean σ(C-C) = 0.003 Å
  • R factor = 0.057
  • single-crystal X-ray study
  • T = 150 K
  • wR factor = 0.166

ASJC Scopus subject areas

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

Cite this

3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile. / Al-Adiwish, Wedad M.; Wan Ahmad, Wan Yaacob; Adan, D.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 12, 12.2011.

Research output: Contribution to journalArticle

Al-Adiwish, Wedad M. ; Wan Ahmad, Wan Yaacob ; Adan, D. ; Mohamed Tahir, Mohamed Ibrahim ; Kassim, Mohammad. / 3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile. In: Acta Crystallographica Section E: Structure Reports Online. 2011 ; Vol. 67, No. 12.
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AU - Wan Ahmad, Wan Yaacob

AU - Adan, D.

AU - Mohamed Tahir, Mohamed Ibrahim

AU - Kassim, Mohammad

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N2 - In the title compound, C9H12N4O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11)°with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) Å]. In the crystal, N - H⋯O and N - H⋯N hydrogen bonds and a weak C - H⋯O inter-action link the molecules into sheets lying parallel to (110).

AB - In the title compound, C9H12N4O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11)°with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) Å]. In the crystal, N - H⋯O and N - H⋯N hydrogen bonds and a weak C - H⋯O inter-action link the molecules into sheets lying parallel to (110).

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KW - R factor = 0.057

KW - single-crystal X-ray study

KW - T = 150 K

KW - wR factor = 0.166

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