Journal Title
Title of Journal: J Chem Crystallogr
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Abbravation: Journal of Chemical Crystallography
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Authors: Daniel Gonzaga Fernando C da Silva Vitor F Ferreira James L Wardell Solange M S V Wardell
Publish Date: 2015/12/16
Volume: 46, Issue: 2, Pages: 67-76
Abstract
The crystal structures of 1phenyl1H123triazol4ylmethyl benzoate 1a 24fluorophenyl2H123triazole4ylmethanol 2a and 2phenyl2H123triazol4carbaldehyde 2b are reported Compounds 1a and 2a were recently reported to exhibit mild αglycosidase inhibition activity while compound 2b exhibited a much greater activity Only small dihedral angles 6524 140210 and 2447° are present between the triazolyl ring and the attached aryl rings in 1a 2a and 2b respectively The relatively flat compounds 2a and 2b contrast with compound 1a which is “V” shaped with a dihedral angle between the near planar phenyltriazolylCH2 and phenylCO2CH2 moieties of 88114° The intermolecular interactions in 1a are C–H···X X = N or πtriazole and πtriazole ···πphenyl two different chains are formed from i combinations of the C–H···N hydrogen bonds and ii combinations of the C–H···π and π···π interactions The intermolecular interactions in 2a are C–H···O and C–F···πphenyl the C–H···O interactions generate a sheet of molecules containing a network of rings·Classical O–H···O hydrogen bonds and weaker C–H···πtriazolyl and πphenyl···πtriazolyl interactions are present in 2b all three interactions together generate a chevrontype arrangement Compound 1a crystallizes in the monoclinic space group P21 with a = 456615 b = 10557314 c = 13969419 Å β = 905946° and Z = 2 Compound 2a crystallizes in the monoclinic space group P21 with a = 371757 b = 104282 c = 106893 Å β = 905216° and Z = 2 Compound 2b crystallizes in the monoclinic space group P21/c with a = 1141305 b = 48028010 c = 15591611 Å β = 1033737° and Z = 4
Keywords:
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- X-ray Structure Investigation of 20- O -β- d -glucopyranosyl-20( S )-protopanaxadiol
- Synthesis, X-ray Structure and Photo Chemistry of 2-(Methyl(1-Phenylvinyl)Carbamoyl)Phenyl Acetate
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