16 research outputs found

    rac-1-(6-Hy­droxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetra­hydro-2,1-benzoxazol-5-yl)ethanone

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    The structure of the title compound, C17H19NO3, is of inter­est with respect to anti­bacterial properties, anti­biotic properties and biological activity. The structure displays inter­molecular O—H⋯N hydrogen bonding

    Ethyl 3,6-dihy­droxy-6-methyl-4-phenyl-4,5,6,7-tetra­hydro-1H-indazole-5-carboxyl­ate monohydrate

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    In the title compound, C17H20N2O4·H2O, the cyclo­hexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192 (12) Å]. In the crystal, pairs of inter­molecular O—H⋯N hydrogen bonds link the mol­ecules into dimers lying about inversion centers and intra­molecular O—H⋯O hydrogen bonds result in six-membered rings. The dimers are further connected by N—H⋯O and O—H⋯O hydrogen bonds

    rac-(1R*,2S*,3S*)-Diethyl 4-methyl-2-phenyl-6-(2-phenyl­hydrazinyl­idene)cyclo­hex-4-ene-1,3-dicarboxyl­ate

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    In the title compound, C25H28N2O4, the cyclohexene ring adopts a half-chair conformation and the dihedral angle between the aromatic rings is 59.44 (11)°. In the crystal, a weak intermolecular N—H⋯O hydrogen bond occurs

    rac-Diethyl 6-hy­droxy-4-[(2-hy­droxy­eth­yl)amino]-6-methyl-2-phenyl­cyclo­hex-3-ene-1,3-dicarboxyl­ate

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    The title compound, C21H29NO6, is chiral with three stereogenic centres. The crystal is a racemate and consists of enanti­omeric pairs with the relative configuration rac-(2R*,3S*,4R*). The ethyl fragment of the eth­oxy­carbonyl group at position 1 is disordered in a 0.60:0.40 ratio. The crystal packing displays inter­molecular O—H⋯O hydrogen bonding. An intra­molecular N—H⋯O hydrogen bond also occurs

    Poly[(μ3-rac-5-eth­oxy­carbonyl-6-hy­droxy-6-methyl-4-phenyl-4,5,6,7-tetra­hydro­benzo[c]isoxazol-3-olato)potassium]

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    The title compound, [K(C17H18NO5)]n, reveals the relative configuration (4R*,5S*,6R*) whereas its crystals are racemic. The cyclo­hexane ring adopts a half-chair conformation and the isoxazole ring has an envelope conformation. The ethyl fragment of the eth­oxy­carbonyl group at position 5 is disordered in a 0.547 (7):0.453 (7) ratio. The K+ ion is surrounded by five O atoms from three ligands at distances ranging from 2.606 (2) to 3.028 (2) Å, generating a three-dimensional network. The crystal packing displays inter­molecular O—H⋯N and O—H⋯O hydrogen bonds in which the hy­droxy group acts as a double proton donor

    rac-Diethyl 9-hy­droxy-9-methyl-7-phenyl-1,4-diaza­spiro­[4.5]decane-6,8-dicarboxyl­ate

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    The title mol­ecule, C21H30N2O5, is chiral with four stereogenic centres. The crystal is a racemate and consists of enanti­omeric pairs with the relative configuration rac-(6S*,7R*,8R*,9S*). The ethyl fragment of the eth­oxy­carbonyl group at position 6 is disordered in a 0.46 (3):0.54 (3) ratio. The crystal structure features inter­molecular N—H⋯O. Intra­molecular O—H⋯N and N—H⋯O hydrogen bonds also occur

    rac-5-Acetyl-6-hy­droxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetra­hydro-2H-indazole

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    The title compound, C17H20N2O2, is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclo­hexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays inter­molecular O—H⋯N and N—H⋯O hydrogen bonding

    rac-5-Acetyl-6-hy­droxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetra­hydro­indazol-1-ium chloride

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    The structure of the title compound, C17H21N2O2 +·Cl−, is of inter­est with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays inter­molecular O—H⋯Cl and N—H⋯Cl hydrogen bonding

    rac-Ethyl 6-hy­droxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexa­hydro­benzo[c][1,2]oxazole-5-carboxyl­ate

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    In the title compound, C17H19NO5, the cyclo­hexene 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 eth­oxy­carbonyl group at position 5 is disordered over two sets of sites in a 0.60:0.40 ratio. The crystal packing displays inter­molecular N—H⋯O and O—H⋯O hydrogen bonds

    rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate

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    The title molecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclohexene ring adopts a half-chair conformation, the hydroxy- and carboxyl-substituted C atoms lying −0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O—H...O hydrogen bonds link the molecules into a chain along the c-axis direction
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