Photonic crystals in biology - NanoTR-VI

PPPoster Session, Thursday, June 17Theme F686 - N1123Investigation of Crystal Structure of 4-(3-Benzylpiperidino)-propionylamino benzenesulfonamide byX-ray Powder Diffraction Method123erife YalçinP P, UHasan TürkmenUP P*, Mehmet AkkurtPPDepartment of Physics,Harran University, anlurfa 63000,TurkeyPDepartment of Chemistry,Harran University, anlurfa 63000,Turkey3PDepartment of Physics,Erciyes University, Kayseri 38039,TurkeyP21Abstract-The Crystal Structure of 4-(3-Benzylpiperidino)-propionylamino benzenesulfonamide [1] was synthesised by the reaction of 3-chloropropionylamino benzenesulfonamide and Benzylpiperidine, was characterised by X-ray powder diffraction method. Crystal Structure ofthis compound by X-ray powder diffraction method has not been studied before. In this study, we found crystal system of title compound astriclinic. We also investigated unit cell parameters, grain size analysis of the title compound (1). We hope that the results obtained in this studywould give some ideas about electrical, magnetical and optical features of this compound.CA inhibition with sulfanilamide discovered by Mann andKeilin [2] was the beginning of a great scientific adventurethat led to important drugs, such as the antihypertensives ofbenzothiadiazine and high-ceiling diuretics type, [3] thesulfonamides with CA inhibitory properties mainly used asantiglaucoma agents, [4,3,5] some antithyroid drugs, [3] thehypoglycemic sulfonamides, [6] and, ultimately, some noveltypes of anticancer agents.[7] The report of Krebs [8] thatmainly the unsubstituted aromatic sulfonamides of typeArSOR2RNHR2R act as strong CAIs, and that the potency of suchcompounds is drastically reduced by N-substitution of thesulfonamide moiety, constituted the beginning of extensivestructure–activity correlations, which led to some valuabledrugs during a short period of time.FW(S)*Cos(Theta)0.128* Fit Size Only: XS(nm) = 86.6 (130.0), Strain(%) = 0.0, ESD of Fit = 0.0, LC = 1.0(1)Figure 1. The scheme of the title compoundPowder diffraction is a scientific technique using X-ray,neutron or electron diffraction on powder or microcrystallinesamples for structural characterization of materials The mostimportant advantage of this method is that it doesn’t explainindividual atoms which occured molecule, it explains structureof whole molecule. In addition application of this method isvery fast and useful. And it doesn’t need large samples,structure of molecule doesn’t decompose while using thismethod. Different features of a powder diffraction pattern canbe exploited in the characterization of a material such as Unitcell dimensions, Presence of a crystalline impurity (orincorrect indexing), Symmetry Presence (or absence) ofamorphous material, Crystallite (domain) size. Of course,powder diffraction data is most commonly used as a"fingerprint"in the identification of a material.Diffraction datas of title sample was collected by RIGAKUmodel D-MAX 2000 powder diffraction system using copperradiation [ (CuK ) = 1.54056Å] at room temperature. And it waso 0scanned between 2 = 5P P- 90.0 P P. It was used JADE program forCrystal structure analysis of diffraction pattern according toHanawalt method. X ray diffraction pattern and grain size of thetitle compound (1).0.0000.080 Sin(Theta)0.396Figure 2. X ray diffraction pattern and grain size of the titlecompound (1)Treor90 computer program Dicvol com Ito compu terputer program programa = 11.888739 0.026612 Å a =12.4498 Å a = 10.2649 Åb = 13.958968 0.020446 Å b =12.4748 Å b = 11.9679 Åc = 11.581524 0.012098 Å c = 8.0520 Å c = 10.2650 Å = 118.975861 0.167434 ° =111.054 ° = 112.0734 ° = 106.036736 0.154640 ° = 95.595 ° = 116.3524 ° = 43.969582 0.068493 ° =128.538 ° = 75.7616 °3V = 1159.04 ÅP3V = 819.66 ÅP V =1042.41ÅPAs seen from table 2, result from computer programs, ito,dicvol and treor are adaptable with one another.*Corresponding author: hturkmen@harran.edu.tr[1] Hasan Turkmen et all..Bioorganic&Medicinal Chemistry letters,15, 2005, 367-372[2]. Mann T, Keilin D. Sulphanilamide as a specific carbonicanhydrase inhibitor. Nature 1940;146:164–165.[3] Maren TH. Carbonic anhydrase: Chemistry, physiology andinhibition. Physiol Rev 1967;47:595–781.[4]. Supuran CT, Scozzafava A. Carbonic anhydrase inhibitors andtheir therapeutic potential. Exp Opin Ther Patents 2000;10:575–600.[5].. Maren TH. Relations between structure and biological activity ofsulfonamides. Annu Rev PharmacolToxicol 1976;16:309–327.[6]. Drew J. Drug discovery: A historical perspective. Science2000;287:1960–1964.[7] Owa T, Nagasu T. Novel sulphonamide derivatives for thetreatment of cancer. Exp Opin Ther Patents 2000;10:1725–1740.36th Nanoscience and Nanotechnology Conference, zmir, 2010 678