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1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

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 dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.026?(1)?Å] and forms dihedral angles of 22.53?(5) and 64.46?(5)° with the benzene and phenyl rings, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates an S(7) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H?O and C-H?N hydrogen bonds into layers parallel to (102).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3120373 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

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

Acta crystallographica. Section E, Structure reports online 20110507 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 dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.026 (1) Å] and forms dihedral angles of 22.53 (5) and 64.46 (5)° with the benzene and phenyl rings, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates an S(7) ring motif. In the crystal, mol-ecules are linked via weak inter-molecul ...[more]

PMID: 21754712

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