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Methyl 2,2'-dimethyl-4'-[2-(methyl-sulfan-yl)eth-yl]-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[isoquinoline-4,5'-oxazole]-4'-carboxyl-ate.

ABSTRACT: In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5)S, the fused N-heterocyclic ring is distorted towards a half-boat conformation. The methyl formate moiety is disordered over two sets of sites with refined occupancies of 0.882?(5) and 0.118?(5). In the crystal, mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds into one-dimensional chains along [010].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3200713 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Methyl 2,2'-dimethyl-4'-[2-(methyl-sulfan-yl)eth-yl]-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[isoquinoline-4,5'-oxazole]-4'-carboxyl-ate.

Fun Hoong-Kun HK Quah Ching Kheng CK Huang Chengmei C Yu Haitao H

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5)S, the fused N-heterocyclic ring is distorted towards a half-boat conformation. The methyl formate moiety is disordered over two sets of sites with refined occupancies of 0.882 (5) and 0.118 (5). In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O hydrogen bonds into one-dimensional chains along [010]. ...[more]

PMID: 22058900

Similar Datasets

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