Methyl 4′-benzyl-2,2′-dimethyl-1,3-dioxo-2,3-dihydro-1H,4′H-spiro[isoquinoline-4,5′-oxazole]-4′-carboxylate
نویسندگان
چکیده
منابع مشابه
Methyl 4′-benzyl-2,2′-dimethyl-1,3-dioxo-2,3-dihydro-1H,4′H-spiro[isoquinoline-4,5′-oxazole]-4′-carboxylate
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).
متن کاملMethyl 4′-isobutyl-2,2′-dimethyl-1,3-dioxo-2,3-dihydro-1H,4′H-spiro[isoquinoline-4,5′-oxazole]-4′-carboxylate
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].
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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].
متن کاملMethyl 3-(4-chlorophenyl)-2-(1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl)-3-oxopropanoate
The title compound, C(21)H(19)ClN(2)O(5), is a tetra-substituted hydantoin derivative which contains an imidazolidine-2,4-dione core. The dihedral angle between the aromatic rings is 64.53 (14)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonding is found. An intra-molecular C-H⋯O inter-action also occurs.
متن کاملConformational space and vibrational spectra of methyl 4-chloro-5-phenyl-1,3-oxazole-2-carboxylate.
Methyl 4-chloro-5-phenyl-1,3-oxazole-2-carboxylate (MCPOC) has been synthesized and isolated in cryogenic matrices (argon and xenon). FTIR spectroscopy studies on the matrix isolated compound, supported by DFT(B3LYP)/6-311++G(d,p) calculations, allow for the identification of two low-energy conformers (I and II) of the molecule, which differ from each other in the orientation of the ester group...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2011
ISSN: 1600-5368
DOI: 10.1107/s160053681101899x