ABSTRACT
The title mol-ecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enanti-omeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclo-hexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640â (1)â Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016â Å). The oxacyclo-hexene ring adopts a half-chair conformation, the hy-droxy- and carboxyl-substituted C atoms lying -0.336â (1) and 0.419â (1)â Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002â Å). In the crystal, O-Hâ¯O hydrogen bonds link the mol-ecules into a chain along the c-axis direction.
ABSTRACT
The complete molecule of the title compound, C(28)H(38)O(2), is generated by a crystallographic centre of symmetry. The molecular conformation displays an intra-molecular C-Hâ¯π inter-action.
ABSTRACT
The title compound, C(10)H(11)Cl(5)O, is a chiral mol-ecule with two stereogenic centres. However, it crystallizes as a racemate. One of enanti-omers reveals the relative configuration (2S*,5R*). The cyclo-hexene ring adopts a half-chair conformation.
ABSTRACT
The title compound, C(17)H(20)N(2)O(2), is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclo-hexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays inter-molecular O-Hâ¯N and N-Hâ¯O hydrogen bonding.
ABSTRACT
The title compound, [K(C(17)H(18)NO(5))](n), reveals the relative configuration (4R*,5S*,6R*) whereas its crystals are racemic. The cyclo-hexane ring adopts a half-chair conformation and the isoxazole ring has an envelope conformation. The ethyl fragment of the eth-oxy-carbonyl group at position 5 is disordered in a 0.547â (7):0.453â (7) ratio. The K(+) ion is surrounded by five O atoms from three ligands at distances ranging from 2.606â (2) to 3.028â (2)â Å, generating a three-dimensional network. The crystal packing displays inter-molecular O-Hâ¯N and O-Hâ¯O hydrogen bonds in which the hy-droxy group acts as a double proton donor.
ABSTRACT
The title mol-ecule, C(21)H(30)N(2)O(5), is chiral with four stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(6S*,7R*,8R*,9S*). The ethyl fragment of the eth-oxy-carbonyl group at position 6 is disordered in a 0.46â (3):0.54â (3) ratio. The crystal structure features inter-molecular N-Hâ¯O. Intra-molecular O-Hâ¯N and N-Hâ¯O hydrogen bonds also occur.
ABSTRACT
In the title compound, C(17)H(20)N(2)O(4)·H(2)O, the cyclo-hexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192â (12)â Å]. In the crystal, pairs of inter-molecular O-Hâ¯N hydrogen bonds link the mol-ecules into dimers lying about inversion centers and intra-molecular O-Hâ¯O hydrogen bonds result in six-membered rings. The dimers are further connected by N-Hâ¯O and O-Hâ¯O hydrogen bonds.
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-Hâ¯O and O-Hâ¯O hydrogen bonds.
ABSTRACT
The structure of the title compound, C(17)H(21)N(2)O(2) (+)·Cl(-), is of inter-est 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 inter-molecular O-Hâ¯Cl and N-Hâ¯Cl hydrogen bonding.
ABSTRACT
In the title compound, C(25)H(28)N(2)O(4), the cyclohexene ring adopts a half-chair conformation and the dihedral angle between the aromatic rings is 59.44â (11)°. In the crystal, a weak intermolecular N-Hâ¯O hydrogen bond occurs.
ABSTRACT
The title compound, C(21)H(29)NO(6), is chiral with three stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(2R*,3S*,4R*). The ethyl fragment of the eth-oxy-carbonyl group at position 1 is disordered in a 0.60:0.40 ratio. The crystal packing displays inter-molecular O-Hâ¯O hydrogen bonding. An intra-molecular N-Hâ¯O hydrogen bond also occurs.
ABSTRACT
The structure of the title compound, C(17)H(19)NO(3), is of inter-est with respect to anti-bacterial properties, anti-biotic properties and biological activity. The structure displays inter-molecular O-Hâ¯N hydrogen bonding.