Crystal structure of 4-methoxy-N-[(pyrrolidin-1-yl) carbothioyl]benzamide

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C<inf>13</inf>H<inf>16</inf>N<inf>2</inf>O<inf>2</inf>S, the pyrrolidine ring has a twisted conformation on the central - CH<inf>2</inf>-CH<inf>2</inf>- bond. Its mean plane is inclined to the 4-methoxybenzoyl ring by 72.79 (15)°. In the crystal, molecules are linked by N - H⋯O and C - H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π interactions [inter-centroid distance = 3.7578 (13) Å], forming undulating slabs parallel to (100).

Original languageEnglish
Pages (from-to)o225-o226
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number4
DOIs
Publication statusPublished - 1 Apr 2015

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Conformations
Hydrogen bonds
Crystal structure
Atoms
Crystals
crystal structure
Molecules
rings
centroids
slabs
hydrogen bonds
crystals
atoms
molecules
interactions
pyrrolidine
benzamide

Keywords

  • Benzamide
  • Benzoylthiourea
  • Crystal structure
  • Hydrogen bonding
  • Pyrrolidine
  • Thiourea

ASJC Scopus subject areas

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

Cite this

Crystal structure of 4-methoxy-N-[(pyrrolidin-1-yl) carbothioyl]benzamide. / Suhud, Khairi; Lee, Yook Heng; Hasbullah, Siti Aishah; Ahmad, Musa; Kassim, Mohammad; Stoeckli-Evans, H.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 4, 01.04.2015, p. o225-o226.

Research output: Contribution to journalArticle

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abstract = "In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central - CH2-CH2- bond. Its mean plane is inclined to the 4-methoxybenzoyl ring by 72.79 (15)°. In the crystal, molecules are linked by N - H⋯O and C - H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π interactions [inter-centroid distance = 3.7578 (13) {\AA}], forming undulating slabs parallel to (100).",
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AU - Suhud, Khairi

AU - Lee, Yook Heng

AU - Hasbullah, Siti Aishah

AU - Ahmad, Musa

AU - Kassim, Mohammad

AU - Stoeckli-Evans, H.

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N2 - In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central - CH2-CH2- bond. Its mean plane is inclined to the 4-methoxybenzoyl ring by 72.79 (15)°. In the crystal, molecules are linked by N - H⋯O and C - H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π interactions [inter-centroid distance = 3.7578 (13) Å], forming undulating slabs parallel to (100).

AB - In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central - CH2-CH2- bond. Its mean plane is inclined to the 4-methoxybenzoyl ring by 72.79 (15)°. In the crystal, molecules are linked by N - H⋯O and C - H⋯O hydrogen bonds to the same O-atom acceptor, forming chains along [001]. The chains are linked via slipped parallel π-π interactions [inter-centroid distance = 3.7578 (13) Å], forming undulating slabs parallel to (100).

KW - Benzamide

KW - Benzoylthiourea

KW - Crystal structure

KW - Hydrogen bonding

KW - Pyrrolidine

KW - Thiourea

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