G. Usha

Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate.

In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, molecules are linked by O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds involving the water molecule, forming double-stranded chains propagating along [010].

2-Chloro-1-(3,3-dimethyl-2,6-di­phenyl­piperidin-1-yl)ethanone

In the title compound, C21H24ClNO, the piperidine ring adopts a chair conformation. The two phenyl rings are inclined to one another by 20.7 (1)°, and are inclined to the mean plane of the four planar atoms of the piperidine ring by 87.64 (10) and 70.8 (1)°. The molecular structure features short intramolecular C—H⋯Cl and C—H⋯O contacts. In the crystal, there are no significant intermolecular interactions present.

N-[(1-Benzoyl­piperidin-4-yl)meth­yl]benzamide

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N—H⋯O hydrogen bonds link the molecules into inversion dimers. C—H⋯O interactions further link the molecules, forming a three-dimensional supramolecular network.

(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

In the title compound, C16H14O4, there is an intramolecular O—H⋯O hydrogen bond. The benzene rings are inclined to one another by 13.89 (9)°. The prop-2-en-1-one group is twisted slightly, the O=C—Car—Car (ar = aromatic) and C=C—C=O torsion angles being −10.4 (3) and −7.4 (3)°, respectively. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains along [100]. These chains are further linked by O—H⋯O hydrogen bonds, forming corrugated sheets lying parallel to (010). There are C—H⋯π interactions present within the sheets.

Crystal structure of (E)-3-(3,4-di-meth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

The molecular structure of the title compound, C21H18O4, consists of a 3,4-dimethoxyphenyl ring and a naphthalene ring system linked via a prop-2-en-1-one spacer. The molecule is almost planar, with a dihedral angle between the benzene ring and the naphthalene ring system of 2.68 (12)°. There is an intramolecular O—H⋯O hydrogen bond involving the adjacent hydroxy and carbonyl groups. The molecule has an E conformation about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, molecules are linked by bifurcated C—H⋯(O,O) hydrogen bonds, enclosing an R 2 1(6) ring motif, and by a further C—H⋯O hydrogen bond, forming undulating sheets extending in b- and c-axis directions. There are π–π interactions between the sheets, involving inversion-related naphthalene and benzene rings [intercentroid distance = 3.7452 (17) Å], forming a three-dimensional structure.

Crystal structure of 2-amino-4-methyl­pyridin-1-ium (2R,3R)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate

The title molecular salt, C6H9N2 +·C4H5O6 −·H2O, crystallized with two 2-amino-4-methylpyridin-1-ium cations, two l-(+)-tartaric acid monoanions [systematic name: (2R,3R)-3-carboxy-2,3-dihydroxypropanoate] and two water molecules in the asymmetric unit. In the crystal, the cations, anions and water molecules are linked via a number of O—H⋯O and N—H⋯O hydrogen bonds, and a C—H⋯O hydrogen bond, forming a three-dimensional structure

(2E)-1-(3,5-Di-hydroxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91 (7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming inversion dimers with an R 2 2(14) ring motif. The dimers are linked via O—H⋯O and C—H⋯O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (10-1). These networks are linked by further C—H⋯O hydrogen bonds, forming a three-dimensional structure.

Synthesis, characterisation, stereochemistry and antimicrobial activity of N 5-piperazino- and N 5-morpholinoacetyl-2,2,4-trimethyl-1, 5-benzodiazepines

AbstractThree 1,5-benzodiazepines viz., N5-chloroacetyl-, N5-piperazinoacetyl- and N5-morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepines have been synthesized. The structural characterisation and the conformational preferences of the compounds have been carried out using IR, 1D and 2D NMR spectral data. The NMR spectral data show that the N-acetyltetrahydro-1,5-benzodiazepines prefer to exist in boat conformation with exo orientation of >C=O at N5 position in the solution state. The X-ray crystal structure of N5-morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepine also supports boat conformation in the solid state. The antimicrobial activity for N-acetyltetrahydro-1,5-benzodiazepines have been carried out. N-morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepine demonstrated better antibacterial and antifungal activities. Graphical AbstractThe preferred conformations, antibacterial and antifungal activities of N5-chloroacetyl-, N5-piperazinoacetyl- and N5-morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepines are reported.

Crystal structure of 3-[4-(benz-yloxy)phen-yl]-2,3-di-hydro-1H-benzo[f]chromen-1-one.

In the title compound, C26H20O3, the pyran ring has a distorted half-chair conformation and its mean plane is inclined to the naphthalene ring system, to which it is fused, by 10.79 (9)°. The dihedral angles between the napthalene unit and the benzene and phenyl rings are 54.39 (9) and 52.65 (12)°, respectively, while the benzene and phenyl rings are inclined to one another by 74.80 (14)°. There is a short C—H⋯O contact in the chromen-1-one unit. In the crystal, molecules are linked by two pairs of C—H⋯O hydrogen bonds, forming inversion dimers described by graph set motifs R 2 2(8) and R 2 2(10), giving rise to chains running parallel to (101). The chains are linked via C—H⋯π interactions, forming sheets lying parallel to (010).

Crystal structure of 1-[2,4-bis(4-methoxy-phenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone.

In the title compound, C24H29NO3, the azabicycle contains two six-membered rings, viz. a cyclohexane ring and a piperidine ring. The first adopts a chair conformation and the second a half-chair conformation. The dihedral angle between their mean planes is 86.21 (13)°, indicating that they are almost perpendicular to one another. The dihedral angle between the planes of the 4-methoxyphenyl rings is 17.51 (13)°, and they make dihedral angles of 81.9 (3) and 81.3 (3)° with the ethan-1-one group. In the crystal, molecules are linked by C—H⋯π interactions forming chains along [10-1].