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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 10-cyano-7-hy-droxy-6-oxo-3-phenyl-8,9,10,10a-tetra-hydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-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.

Project description:The title hydrate, C13H14N2O4·H2O, crystallizes with two formula units in the asymmetric unit (Z' = 2). The dihedral angles between the planes of the tetra-hydro-pyrimidine ring and the 4-hy-droxy-phenyl ring and ester group are 86.78?(4) and 6.81?(6)°, respectively, for one mol-ecule and 89.35?(4) and 3.02?(4)° for the other. In the crystal, the organic mol-ecules form a dimer, linked by a pair of N-H?O hydrogen bonds. The hydroxy groups of the organic mol-ecules donate O-H?O hydrogen bonds to water mol-ecules. Further, the hy-droxy group accepts N-H?O hydrogen bonds from amides whereas the water mol-ecules donate O-H?O hydrogen bonds to the both the amide and ester carbonyl groups. Other weak inter-actions, including C-H?O, C-H?? and ?-?, further consolidate the packing, generating a three-dimensional network.

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Ethyl 1-benzoyl-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

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