Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 5 de 5
Filter
Add more filters










Database
Language
Publication year range
1.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): o1601, 2011 Jul 01.
Article in English | MEDLINE | ID: mdl-21837009

ABSTRACT

The asymmetric unit of the title compound, C(26)H(16)F(6)O(2), contains one half of the mol-ecule situated on an inversion centre. In the rod-like mol-ecule, the two terminal benzene rings form a dihedral angle of 71.9 (1)° with the central benzene ring. The trifluoro-methyl group is rotationally disordered over two orientations in a 0.53 (1):0.47 (1) ratio. The crystal packing exhibits no classical inter-molecular inter-actions.

2.
Spectrochim Acta A Mol Biomol Spectrosc ; 75(3): 1159-62, 2010 Mar.
Article in English | MEDLINE | ID: mdl-20093072

ABSTRACT

The structure of (1alpha, 2beta, 4beta, 5alpha, 7beta)-7-[(hydroxydi-2-thienylacetyl) oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo [3.3.1.0(2,4)] nonane bromide monohydrate was studied using 1D and 2D NMR techniques. Complete NMR assignments of the compound were obtained using DEPT, H-H COSY, as well as HMQC and HMBC heteronuclear correlation techniques.


Subject(s)
Alkanes/chemistry , Bromides/chemistry , Magnetic Resonance Spectroscopy/methods , Bronchodilator Agents/chemistry , Humans , Molecular Structure
3.
Article in English | MEDLINE | ID: mdl-16406787

ABSTRACT

Cis-N-[4-[4-(1,2-benzisozole-3-yl)-1-piperazinyl]butyl]cyclohexane-1,2-dicarboximide monohydrochloride dihydrate was studied spectroscopically. Complete NMR assignments were made using DEPT, H-H COSY, as well as HMQC and HMBC heteronuclear correlation techniques. The hydrochloride salt was found at delta > 10. The dihydrate was present in the region delta 3-4 in DMSO-d6 solvent. Asymmetry carbon C3 brought chemical-shift-nonequivalent of cis-cyclohexanyl group, splitting four systems H1, H1', H2 and H2'. Diamagnetic anisotropy of benzisozolyl group results in three troops peaks of piperazinyl group.


Subject(s)
Cyclohexanes/chemistry , Imides/chemistry , Piperazines/chemistry , Carbon Isotopes , Magnetic Resonance Spectroscopy , Protons
4.
Article in English | MEDLINE | ID: mdl-15649799

ABSTRACT

(+/-)-1-[3-(2-Methoxyphenoxy)-2-hydroxypropyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt was studied spectroscopically. Complete NMR assignments for dihydrochloride salt were made using DEPT, H-H COSY, as well as HMQC and HMBC heteronuclear correlation techniques.


Subject(s)
Magnetic Resonance Spectroscopy/methods , Piperazines/chemistry , Spectrophotometry/methods , Carbon/chemistry , Models, Chemical , Piperazine , Piperazines/analysis , Protons
5.
Article in English | MEDLINE | ID: mdl-15649805

ABSTRACT

The vibration spectrum and FAB mass spectrum of (+/-)-1-[3-(2-methoxyphenoxy)-2-hydroxypropyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt was studied. By comparing with the spectra of free base, different bands of IR were found in the NH+ stretching, the NH+ deformation motion, the CH2 of NCH2 group symmetric stretching, the CH2 of N-CH2 group twisting and the CN stretching. FAB shows the basic peak is M + H. Other m/e peaks are consistent with the structure.


Subject(s)
Mass Spectrometry/methods , Piperazines/chemistry , Spectrophotometry, Infrared/methods , Carbon/chemistry , Hydrogen Bonding , Models, Chemical , Nitrogen/chemistry , Piperazine
SELECTION OF CITATIONS
SEARCH DETAIL
...