Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate.

The title salts, C8H13N4 (+)·Cl(-), (I), and C8H13N4 (+)·NO3 (-), (II), contain linked pyridinium-piperazine heterocycles. In both salts, the piperazine ring adopts a chair conformation with protonation at the N atom not linked to the other ring. In the crystal of (I), weak N-H⋯Cl inter-actions are observed, leading to zigzag chains along [100].

Crystal structure of N-(3-benzoyl-4,5,6,7-tetra-hydro-1-benzo-thio-phen-2-yl)benzamide.

In the title compound, C22H19NO2S, the cyclo-hexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thio-phene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1) and 59.

Two tautomers in the same crystal: 3-(4-fluoro-phen-yl)-1H-pyrazole and 5-(4-fluoro-phen-yl)-1H-pyrazole.

The title co-crystal, 3-(4-fluoro-phen-yl)-1H-pyrazole-5-(4-fluoro-phen-yl)-1H-pyrazole (1/1), C9H7FN2, crystallizes with four independent mol-ecules (A, B, C and D) in the asymmetric unit exhibiting two tautomeric forms (A and D; B and C) due to N-H proton exchange between the two N atoms of the pyrazole ring. The dihedral angles between the mean planes of the pyrazole and benzene rings are 15.6 (1), 19.

Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano-ate.

The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N-H⋯O hydrogen bonds are observed, forming chains along [010].

Vibrational spectroscopic studies and molecular docking of 10,10-Dimethylanthrone.

FT-IR and FT-Raman spectra of 10,10-Dimethylanthrone were recorded and analyzed. The vibrational wavenumbers were computed using DFT quantum chemical calculations. The data obtained from wavenumber calculations are used to assign vibrational bands obtained experimentally.

4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb-oxy-prop-2-enoate.

In the cation of the title salt, C8H13N4 (+)·C4H3O4 (-), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O-H⋯O inter-molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linked by the cations, via N-H⋯O hydrogen bonds, forming sheets parallel to (100).

Pyrimethaminium 2-{[4-(tri-fluoro-meth-yl)phen-yl]sulfan-yl}benzoate dimethyl sulfoxide monosolvate.

In the cation of the title solvated mol-ecular salt, C12H14ClN4 (+)·C14H8F3O2S(-)·C2H6OS [systematic name of the cation: 2,4-di-amino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chloro-phenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.

Theoretical investigations on the molecular structure, vibrational spectral, HOMO-LUMO and NBO analysis of 9-[3-(Dimethylamino)propyl]-2-trifluoro-methyl-9H-thioxanthen-9-ol.

The experimental FT-IR and FT-Raman spectra of 9-[3-(Dimethylamino)propyl]-2-trifluoro-methyl-9H-thioxanthen-9-ol have been recorded. Quantum chemical calculations of geometry and vibrational wavenumbers of 9-[3-(Dimethylamino)propyl]-2-trifluoro-methyl-9H-thioxanthen-9-ol are carried out theoretically. Four possible stable conformations of the title compound were determined.

{2-[(2-Bromo-5-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thiophen-3-yl}(phen-yl)methanone.

In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11).

{2-[(1H-Indol-3-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phen-3-yl}(phen-yl)methanone.

The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0 (7) and 8.

6-Chloro-2-chloro-methyl-4-phenyl-quinazoline 3-oxide.

In the title compound, C15H10Cl2N2O, the dihedral angle between the mean planes of the phenyl ring and the 10-membered quinazoline ring is 63.3 (4)°. In the crystal, pairs of weak C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers, forming R 2 (2)(10) graph-set ring motifs.

5-(4-Fluoro-phen-yl)-2H-pyrazol-1-ium 2,2,2-tri-fluoro-acetate.

The title salt, C9H8FN2 (+)·C2F3O2 (-), crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.

3-(1H-Imidazol-1-yl)propanaminium 2-carb-oxy-4,6-di-nitro-phenolate.

In the title salt, C6H12N3 (+)·C7H3N2O7 (-), the imidazole ring is planar, with a maximum deviation of 0.0013 (14) Å for the N attached to the propanaminium group. In the anion, a single intra-molecular O-H⋯O hydrogen bond is observed.

5-Amino-1H-pyrazol-2-ium hydrogen succinate.

In the cation of the title salt, C3H6N3 (+)·C4H5O4 (-), the protonated pyrazolium ring is planar (r.m.s.

Flupentixol tartrate.

In the title salt, C23H26F3N2OS(+)·C4H5O6 (-) [systematic name: 1-(2-hy-droxy-eth-yl)-4-[3-(2-(tri-fluoro-meth-yl)thioxanthen-9-yl-idene)prop-yl]piperazin-1-ium 3-carb-oxy-2,3-di-hydroxy-pro-pion-ate], the monoprotonated piperazine ring in the cation adopts a chair conformation, while the thio-pyran ring of the thioxanthene group has a boat conformation. The dihedral angle between the mean planes of the two outer aromatic rings of the thioxanthene groups is 31.6 (2)°.

Enrofloxacinium oxalate.

The title salt, 2C19H23FN3O3 (+)·C2O4 (2-) {systematic name: bis-[4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quino-lin-7-yl)-1-ethyl-piperazin-1-ium] oxalate}, crystallizes with two independent monocations (A and B) and an oxalate dianion (C) in the asymmetric unit. The piperazinium ring in both the cations adopts a slightly disordered chair conformation. The dihedral angles between the mean planes of the cyclo-propyl ring and the 10-membered quinoline ring are 50.

Raltegravir monohydrate.

THE HYDRATED TITLE COMPOUND [SYSTEMATIC NAME: N-(4-fluoro-benz-yl)-5-hy-droxy-1-methyl-2-{1-methyl-1-[(5-methyl-1,3,4-oxa-diazol-2-ylcarbon-yl)amino]-eth-yl}-6-oxo-1,6-di-hydro-pyrimidine-4-carb-oxamide monohydrate], C20H21FN6O5·H2O, is recognised as the first HIV integrase inhibitor. In the mol-ecule, the dihedral angles between the mean planes of the pyrimidine ring and the phenyl and oxa-diazole rings are 72.0 (1) and 61.

4-Hy-droxy-5-(2-meth-oxy-phen-oxy)-2,2'-bipyrimidin-6(5H)-one dihydrate.

The title compound, C15H12N4O4·2H2O, crystallizes with two independent water mol-ecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.

2-[4-(Tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoic acid.

In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7 (2)°. The carb-oxy-lic acid group is twisted by 13.

Methyl 2-[4-(tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoate.

In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.

3-Amino-1H-pyrazol-2-ium tri-fluoro-acetate.

The asymmetric unit of the title salt, C3H6N3 (+)·C2F3O2 (-), contains two independent 3-amino-pyrazolium cations and two independent tri-fluoro-acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.

3-(1H-Imidazol-1-yl)propanaminium picrate.

IN THE TITLE SALT [SYSTEMATIC NAME: 3-(1H-imidazol-1-yl)propanaminium 2,4,6-tri-nitro-phenolate], C6H12N3 (+)·C6H2N3O7 (-), there are five independent cation-anion pairs (A, B, C, D, E) in the asymmetric unit. In the cation, the ammonium group is protonated with the amino-propyl group nearly at right angles to the mean plane of the imidazole ring showing C-N-C-C torsion angles ranging from 79.6 (2) to 99.

(2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.

In the title compound, C15H10ClNO3, a substituted chalcone, the dihedral angle between the benzene rings is 5.1 (7)°. The nitro group makes a dihedral angle of 12.

Ageing in Puducherry, South India: An overview of morbidity profile.

Background: The geriatric health problems are related to chronic disease as a result of increasing life expectancy.

Objective: This study was undertaken to assess the health problems of the elderly in Puducherry.

Materials And Methods: This cross-sectional study was carried out on 214 elderly persons from the age group of 60 years and above using a pre-designed and pre-tested questionnaire that addressed the disease magnitude in comparison with the socioeconomic variables.

Prevalence and determinants of diabetes mellitus in Puducherry, South India.

Background: Diabetes mellitus is an emerging global health problem. It is a chronic, noncommunicable, and expensive public health disease.

Aims And Objectives: To determine the prevalence and the risk factors of type 2 diabetes mellitus among the adult population of Puducherry, South India.