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4-{4-[(4-Oxoquinazolin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}butyl acetate.

ABSTRACT: In the heterocyclic title compound, C(17)H(19)N(5)O(3), the quinazolinone ring system forms a dihedral angle of 67.22?(7)° with the triazole ring. The butyl acetate group has a non-linear conformation, with an alternation of synclinal and anti-periplanar torsion angles [N-C-C-C = 58.5?(2)°, C-C-C-C = 170.72?(19)° and C-C-C-O = -65.9?(3)°]. The crystal structure features inter-molecular C-H?N and C-H?O non-classical hydrogen bonds, building an infinite one-dimensional network along the [100] direction.

SUBMITTER: Ouahrouch A

PROVIDER: S-EPMC3238858 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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4-{4-[(4-Oxoquinazolin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}butyl acetate.

Ouahrouch Abdelaaziz A Taourirte Moha M Lazrek Hassan B HB El Azhari Mohamed M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the heterocyclic title compound, C(17)H(19)N(5)O(3), the quinazolinone ring system forms a dihedral angle of 67.22 (7)° with the triazole ring. The butyl acetate group has a non-linear conformation, with an alternation of synclinal and anti-periplanar torsion angles [N-C-C-C = 58.5 (2)°, C-C-C-C = 170.72 (19)° and C-C-C-O = -65.9 (3)°]. The crystal structure features inter-molecular C-H⋯N and C-H⋯O non-classical hydrogen bonds, building an infinite one-dimensional network along the [100] dire ...[more]

PMID: 22199711

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