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1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1863, 2011 Jul 01.
Article in English | MEDLINE | ID: mdl-21837227

ABSTRACT

The title mol-ecule, C(13)H(14)O(3), adopts a Z conformation about the C=C double bond. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds with phenyl -CH atoms functioning as donors and the carbonyl O atom of an ester group as acceptor are observed.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): o1127, 2011 May 01.
Article in English | MEDLINE | ID: mdl-21754439

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-H⋯N and N-H⋯O hydrogen bonding.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 6): m786, 2011 Jun 01.
Article in English | MEDLINE | ID: mdl-21754667

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 0.547 (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 inter-molecular O-H⋯N and O-H⋯O hydrogen bonds in which the hy-droxy group acts as a double proton donor.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o291, 2011 Jan 08.
Article in English | MEDLINE | ID: mdl-21522983

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 0.46 (3):0.54 (3) ratio. The crystal structure features inter-molecular N-H⋯O. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds also occur.

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o480, 2011 Jan 22.
Article in English | MEDLINE | ID: mdl-21523137

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 = 0.0192 (12) Å]. In the crystal, pairs of inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into dimers lying about inversion centers and intra-molecular 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.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o3018, 2011 Nov.
Article in English | MEDLINE | ID: mdl-22220035

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.

7.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 7): o1848, 2010 Jun 26.
Article in English | MEDLINE | ID: mdl-21588046

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-H⋯Cl and N-H⋯Cl hydrogen bonding.

8.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 1): o153, 2010 Dec 18.
Article in English | MEDLINE | ID: mdl-21522660

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 59.44 (11)°. In the crystal, a weak intermolecular N-H⋯O hydrogen bond occurs.

9.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 1): o187, 2010 Dec 18.
Article in English | MEDLINE | ID: mdl-21522691

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-H⋯O hydrogen bonding. An intra-molecular N-H⋯O hydrogen bond also occurs.

10.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 11): o3030, 2010 Oct 31.
Article in English | MEDLINE | ID: mdl-21589186

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-H⋯N hydrogen bonding.

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