3.8 Article

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

Publisher

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989017013317

Keywords

crystal structure; benzoylthiourea; piperidine; pyrrolidine; benzamide; anti-cancer hydrogen bonding; C-H center dot center dot center dot pi interactions; offset pi-pi interactions

Funding

  1. Universiti Kebangsaan Malaysia (UKM) [DIP-2012-11, DLP-2013-001, DPP-2013-043, DPP-2014-048]
  2. Ministry of Education, Malaysia [FRGS/1/2014/ST01/UKM/02/2]

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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)degrees. The central N-C(=S)-N(H)-C(=O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6)degrees. In the crystal, molecules are linked by N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming chains along the c-axis direction. Adjacent chains are linked by C-H center dot center dot center dot pi interactions, forming layers parallel to the ac plane. The layers are linked by offset pi-pi interactions [intercentroid distance = 3.927 (3) angstrom], forming a supramolecular three-dimensional structure.

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