Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide

Research output: Contribution to journalArticle

Abstract

In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3). The central N-C( S)-N(H)-C( O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6). In the crystal, molecules are linked by N-H...O and C-H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C-H...φ interactions, forming layers parallel to the ac plane. The layers are linked by offset φ-φ interactions [intercentroid distance = 3.927 (3) Å ], forming a supramolecular three-dimensional structure.

Original languageEnglish
Pages (from-to)1530-1533
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
Volume73
Issue number10
DOIs
Publication statusPublished - 1 Jan 2017

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piperidine
Dihedral angle
Torsional stress
Conformations
Hydrogen bonds
Crystal structure
Crystals
crystal structure
Molecules
rings
seats
torsion
dihedral angle
interactions
hydrogen bonds
crystals
molecules
Direction compound
benzamide

Keywords

  • Anti-cancer
  • Benzamide
  • Benzoylthiourea
  • C-H...φ interactions
  • Crystal structure
  • Hydrogen bonding
  • Offset φ-φ interactions
  • Piperidine
  • Pyrrolidine

ASJC Scopus subject areas

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

Cite this

Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide. / Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Lee, Yook Heng; Kassim, Mohammad.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 73, No. 10, 01.01.2017, p. 1530-1533.

Research output: Contribution to journalArticle

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abstract = "In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3). The central N-C( S)-N(H)-C( O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6). In the crystal, molecules are linked by N-H...O and C-H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C-H...φ interactions, forming layers parallel to the ac plane. The layers are linked by offset φ-φ interactions [intercentroid distance = 3.927 (3) {\AA} ], forming a supramolecular three-dimensional structure.",
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AU - Kassim, Mohammad

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AB - In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3). The central N-C( S)-N(H)-C( O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6). In the crystal, molecules are linked by N-H...O and C-H...O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C-H...φ interactions, forming layers parallel to the ac plane. The layers are linked by offset φ-φ interactions [intercentroid distance = 3.927 (3) Å ], forming a supramolecular three-dimensional structure.

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