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3-Hydr-oxy-3-phenyl-isoindolin-1-one 0.33-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(11)NO(2)·0.33H(2)O, contains three 3-hydr-oxy-3-phenyl-isoindolin-1-one (HPIO) mol-ecules and one water mol-ecule. The three independent HPIO mol-ecules differ in the orientations of hydr-oxy and phenyl groups substituted at the 3-position with respect to the planar [r.m.s. deviations of 0.0173, 0.0170 and 0.0102?Å] dihydro-isoindolin-1-one ring system. In the crystal structure, mol-ecules are linked into a three-dimensional network by O-H?O, N-H?O and C-H?O hydrogen bonds.

SUBMITTER: Liu S

PROVIDER: S-EPMC2972140 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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3-Hydr-oxy-3-phenyl-isoindolin-1-one 0.33-hydrate.

Liu Shan S Zhang Xiao-Li XL Zhang Wen-Hong WH Zhu Hong-Jun HJ

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

The asymmetric unit of the title compound, C(14)H(11)NO(2)·0.33H(2)O, contains three 3-hydr-oxy-3-phenyl-isoindolin-1-one (HPIO) mol-ecules and one water mol-ecule. The three independent HPIO mol-ecules differ in the orientations of hydr-oxy and phenyl groups substituted at the 3-position with respect to the planar [r.m.s. deviations of 0.0173, 0.0170 and 0.0102 Å] dihydro-isoindolin-1-one ring system. In the crystal structure, mol-ecules are linked into a three-dimensional network by O-H⋯O, N-H ...[more]

PMID: 21578748

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