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4-[(2,4-Dimethyl-thia-zol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione.

ABSTRACT: In the title isoquinoline-dione derivative, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra-hydro-isoquinoline ring system adopts a distorted envelope conformation. The thia-zole ring is essentially planar [maximum deviation = 0.004?(1)?Å] and is inclined at a dihedral angle of 31.08?(3)° with respect to the mean plane through the tetra-hydro-isoquinoline ring system. In the crystal structure, inter-molecular O-H?O and C-H?O inter-actions link adjacent mol-ecules into a three-dimensional extended network. The crystal structure is further stabilized by weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2984028 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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4-[(2,4-Dimethyl-thia-zol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione.

Fun Hoong-Kun HK Goh Jia Hao JH Yu Haitao H Zhang Yan Y

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

In the title isoquinoline-dione derivative, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra-hydro-isoquinoline ring system adopts a distorted envelope conformation. The thia-zole ring is essentially planar [maximum deviation = 0.004 (1) Å] and is inclined at a dihedral angle of 31.08 (3)° with respect to the mean plane through the tetra-hydro-isoquinoline ring system. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O inter-actions link adjacent mol-ecules into a three-dimensional e ...[more]

PMID: 21580747

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