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Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

ABSTRACT: In the isoquinoline ring system of the title mol-ecule, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.042?(1)?Å] and forms a dihedral angle of 81.85?(4)° with the benzene ring. In the crystal, the mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into chains along [010].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3120529 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

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Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

Fun Hoong-Kun HK Quah Ching Kheng CK Xu Kai K Zhang Yan Y

Acta crystallographica. Section E, Structure reports online 20110525 Pt 6

In the isoquinoline ring system of the title mol-ecule, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.042 (1) Å] and forms a dihedral angle of 81.85 (4)° with the benzene ring. In the crystal, the mol-ecules are linked via inter-molecular C-H⋯O hydrogen bonds into chains along [010]. ...[more]

PMID: 21754883

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