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Rac-Ethyl 6-hy-droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa-hydro-benzo[c][1,2]oxazole-5-carboxyl-ate.

ABSTRACT: In the title compound, C(17)H(19)NO(5), the cyclo-hexene ring is in a half-chair conformation and the isoxazole ring in an envelope conformation with the N atom as the flap. The C atoms in the 4- and 6-positions are of the same absolute configuration, whereas the C atom in the 5-position is of the opposite configuration, i.e. (4S*,5R*,6S*). The methyl fragment of the eth-oxy-carbonyl group at position 5 is disordered over two sets of sites in a 0.60:0.40 ratio. The crystal packing displays inter-molecular N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Ismiyev AI

PROVIDER: S-EPMC3247417 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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rac-Ethyl 6-hy-droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa-hydro-benzo[c][1,2]oxazole-5-carboxyl-ate.

Ismiyev Arif I AI Maharramov Abel M AM Rashidov Bahruz A BA Mammadova Gunay Z GZ Askerov Rizvan K RK

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

In the title compound, C(17)H(19)NO(5), the cyclo-hexene ring is in a half-chair conformation and the isoxazole ring in an envelope conformation with the N atom as the flap. The C atoms in the 4- and 6-positions are of the same absolute configuration, whereas the C atom in the 5-position is of the opposite configuration, i.e. (4S*,5R*,6S*). The methyl fragment of the eth-oxy-carbonyl group at position 5 is disordered over two sets of sites in a 0.60:0.40 ratio. The crystal packing displays inter ...[more]

PMID: 22220035

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rac-Ethyl 2-hy-droxy-2,7,7-trimethyl-4-(4-nitro-phen-yl)-5-oxo-3,4,5,6,7,8-hexa-hydro-2H-chromene-3-carboxyl-ate.

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Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

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Crystal structure of methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate monohydrate.

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Project description:In the mol-ecular structure of the title compound, C(21)H(25)NO(4), the dihydro-pyridine ring adopts a flattened boat conformation while the cyclo-hexenone ring is in an envelope conformation. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to (10) by N-H?O and O-H?O hydrogen bonds. The network is generated by R(4) (4)(30) and R(4) (4)(34) graph-set motifs.

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