Determinação das Estruturas Cristalinas e Moleculares dos Compostos: 4-hidroxi 6 propenil 5,6 diidro-piran-2-ona; 4 metoxi 6 fenil 5,6-diidro piran 2 ona; 6,6-difenil diidro piran 2,4 diona e 5,6 difenil diidro piran 2,4 diona, Utilizando Técnicas de Difração de Raios X

Abstract

This work presents a study developed on four composites dihydro pyranc , (4 hydroxy 6 propenyl 5,6 dihydro pyran 2-one ; 4-metoxy 6 phenyl 5,6 dihydro pyran 2-one; 6,6 diphenyl-dihydro pyran 2,4-dione; 5,6 diphenyl dihydro pyran 2,4-dione), respectively called in this work (unofficial) forms f1, f2, f3 e f4. These compounsds were synthesized by Msc Laura Cristiane de Souza on the LaSO laboratory of Universidade Federal de Alagoas (UFAL), which is supervised by Prof. Dr. Dennis de Oliveira Imbrosi. The collected intensities had been measured using radiation monochromatot by a graphite crystal. The compound 4 Hydroxy 6 propenyl 5,6 dihydro pyran 2 - one (f1), possess molecular formula ( C8H10O3 ) and crystallize in the monoclinic system. It has space group P21/c with the following crystallographic parameters: a= 5.1638(8)Å, b=19.1787(10)Å , C=7.5837(4)Å; β =104.540 (2)°, v=757.32(6)Å3; z= 4 for unitary cell; D=1.352g/cm3. 2538 reflections were collected with diffractometer kappa CCD (Enraf Nonius), being 1338 independent reflections. After the refinement it was got an final reliability index of 0.0706. The compound 4 Metoxy 6 phenyl 5,6 dihydro pyran 2 - one, (f2), has molecular formula (C12H12O3). It crystallizes in the system monoclinic, space group P21/c with the following crystallographic parameters: a = (5.669(2)Å, B=9.16(3)Å, C=19.91(4)Å, β=94.49(3)°, v=1026,(5)Å3; Z=4 for unitary cell; D=1.21 g/cm³. 4386 reflections were collected with diffractometer Kappa CCD (Enraf Norius), with 2334 independent reflections. The refinement gave an index of final discordance of 0.0522. The compound 6,6 Diphenyl - dihydro pyran 2,4 - dione, (f3) with molecular formula (C17H14O3) crystallizes in the monoclinic system ; space group P21/c, with following crystallographic parameters: a= 5.1638(8)Å, b=19.1787 (10)Å, C=7.5837(4)Å; β = 104.540(2)°, v=757.32(6)Å3; z=4 for unitary cell; D=1.352g/cm3 13034 reflections were collectedwith difratômetro kappa CCD (Enraf Nonious), being 3046 independent reflections these intensities. The refinement gave a final index of discordance of 0.0683. The compound 5,6 Diphenyl dihydro pyran 2,4 - dione, (f4) with molecular formula (C17H14O3) it crystallizes in the monoclinic system ; space group P21/c with following crystallographic parameters: a= 8.9939(2)Å, b=8.2312(4)Å; C=18.9044(8)Å; β=101.412(2)°,v=1371.84(9)ų; z=4 for unitary cell; D=1.289g/cm³. 5298 reflections were collected with diffractometer kappa CCD (Enraf Nonious), being 3113 independent reflections these intensities. The refinement gave a final index of discordance of 0.0491