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7-Chloro-6,8-dinitro-quinazolin-4(3H)-one acetic acid monosolvate.

ABSTRACT: In the title compound, C(8)H(3)ClN(4)O(5)·C(2)H(4)O(2), both the nitro groups are close to perpendicular [dihedral angles = 67.62 (15) and 86.73 (12)°] to the almost planar quinazoline unit [r.m.s. deviation = 0.014Å]. In the crystal, both the quinazoline and acetic acid mol-ecules form inversion dimers linked by pairs of N-H⋯O and O-H⋯O hydrogen bonds, respectively. R(2) (2)(8) loops arise in each case.

SUBMITTER: Yu Y

PROVIDER: S-EPMC3274997 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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7-Chloro-6,8-dinitro-quinazolin-4(3H)-one acetic acid monosolvate.

Yu Yongqiang Y

Acta crystallographica. Section E, Structure reports online 20120107 Pt 2

In the title compound, C(8)H(3)ClN(4)O(5)·C(2)H(4)O(2), both the nitro groups are close to perpendicular [dihedral angles = 67.62 (15) and 86.73 (12)°] to the almost planar quinazoline unit [r.m.s. deviation = 0.014Å]. In the crystal, both the quinazoline and acetic acid mol-ecules form inversion dimers linked by pairs of N-H⋯O and O-H⋯O hydrogen bonds, respectively. R(2) (2)(8) loops arise in each case. ...[more]

PMID: 22346942

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