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6-Chloro-3-phenethyl-2-thioxo-2,3-di-hydro-quinazolin-4(1H)-one.

ABSTRACT: The asymmetric unit of the title quinazolinone compound, C(16)H(13)ClN(2)OS, consists of two crystallographically independent mol-ecules, A and B. The dihedral angles between the quinazoline and benzene rings are 16.88?(6) and 32.34?(6)° for mol-ecules A and B, respectively. In the crystal structure, mol-ecules A and B are linked by two bifurcated inter-molecular N-H?S and C-H?S hydrogen bonds. Pairs of mol-ecules are further linked by C-H?O and C-H?Cl hydrogen bonds into a chain aligned approximately along [110].

SUBMITTER: Hashim NM

PROVIDER: S-EPMC2984037 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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6-Chloro-3-phenethyl-2-thioxo-2,3-di-hydro-quinazolin-4(1H)-one.

Hashim Norhafizah Mohd NM Osman Hasnah H Rahim Afidah Abdul AA Yeap Chin Sing CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

The asymmetric unit of the title quinazolinone compound, C(16)H(13)ClN(2)OS, consists of two crystallographically independent mol-ecules, A and B. The dihedral angles between the quinazoline and benzene rings are 16.88 (6) and 32.34 (6)° for mol-ecules A and B, respectively. In the crystal structure, mol-ecules A and B are linked by two bifurcated inter-molecular N-H⋯S and C-H⋯S hydrogen bonds. Pairs of mol-ecules are further linked by C-H⋯O and C-H⋯Cl hydrogen bonds into a chain aligned approxi ...[more]

PMID: 21580754

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