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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 |

REPOSITORIES: biostudies-literature

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3-(4-Chloro-phen-yl)quinazolin-4(3H)-one.

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Project description:In the title compound, C(14)H(9)BrN(2)O, the quinazoline unit is essentially planar, with a mean deviation of 0.058?(2)?Å from the least-squares plane defined by the ten constituent ring atoms. The dihedral angle between the mean plane of the quinazoline ring system and the 4-bromo-phenyl ring is 47.6?(1)°. In the crystal, mol-ecules are linked by inter-molecular C-H?N and C-H?O hydrogen bonds, forming infinite chains of alternating R(2) (2)(6) dimers and R(2) (2)(14) ring motifs.

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Crystal structures and Hirshfeld surface analyses of 6,8-dimeth-oxy-3-methyl-1H-isochromen-1-one and 5-bromo-6,8-dimeth-oxy-3-methyl-1H-isochromen-1-one chloro-form monosolvate.

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