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Methyl 4'-benzyl-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(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The least-squares plane of the dioxa-2-aza-spiro ring [maximum deviation = 0.076?(1)?Å] and forms a dihedral angle of 14.54?(4)° with the phenyl ring. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into layers parallel to (100).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3120312 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Methyl 4'-benzyl-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 Huang Chengmei C Yu Haitao H

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

In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The least-squares plane of the dioxa-2-aza-spiro ring [maximum deviation = 0.076 (1) Å] and forms a dihedral angle of 14.54 (4)° with the phenyl ring. In the crystal, mol-ecules are linked via inter-molecular C-H⋯O hydrogen bonds into layers parallel to (100). ...[more]

PMID: 21754882

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