19 research outputs found
Ethyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate monohydrate
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-1-(6-Hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl)ethanone
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
Poly[(μ3-rac-5-ethoxycarbonyl-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydrobenzo[c]isoxazol-3-olato)potassium]
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 6-hydroxy-4-[(2-hydroxyethyl)amino]-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate
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
rac-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
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-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexahydrobenzo[c][1,2]oxazole-5-carboxylate
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-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetrahydroindazol-1-ium chloride
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