X-Işınları Kırınımı ile C19h23n3o5, C13h11no3, C8h12n2o3 ve C13h29n3o5 Organik Moleküllerinin Yapı Analizleri

Abstract

Bu tez, C19H23N3O5, C13H11NO3, C8H12N2O3 ve C13H29N3O5 organik bileşiklerin yapılanın içerir. Tüm kristallerin yapılarının belirlenmesi x-ışını kırınımı yöntemi ile yapılmıştır. Kristallerin verileri, STOE IPDS II difraktometresi ile toplanmıştır. Yapılar, SHELXS- 97 (Sheldrick, 1997) programı yardımı ile direkt yöntemler kullanılarak çözülmüş ve SHELXL-97 (Sheldrick, 1997) programı yardımı ile en küçük kareler yöntemi ile antılmıştır. Ci9H23N3C>5,(I) molekülünün birim hücre parametreleri, a=l 7.4603(1 7)Â, b=10.7156(12)Â, c=10.6495(9)Â,This thesis contains the structures of C19H23N3O5, C13H11NO3, C8H12N2O3 and C13H29N3O5 organic compoimds. The structure determination of all crystals have been made by using the method of x-ray diffraction. The data of crystals were collected in the STOE IPDS II diffractometer. The structures have been solved by using direct methods with the program SHELXS-97 (Sheldrick, 1997) and refined by using least squares refinement with the program SHELXL-97 (Sheldrick, 1997). The unit cell parameters of molecule C19H23N3O5, (I) are a=17.4603(17)Â, b=l 0.71 56(1 2)Â, c=10.6495(9)Â, a=90°, p=94.830(7)° and y=90°. The unit cell of this crystal is in the monoclinic P 2i/c space group. In the result of refinement, the reliability factor (R) of molecule (I) have been determined as 0.071. The molecule has a intramolecular N-H...O hydrogen bond which verifies the molecule adopts the keto- amine tautomerism. The molecule has also four intermolecular O-H...O hydrogen bonds. The unit cell parameters of molecule C13H11NO3, (II) are a=13.2579(ll)Â, b=7.8772(8)Â, c=20.4502(15)Â, a=90°, p=91. 369(6)° and y=90°. The unit cell of this crystal is in the monoclinic C 2/c space group. In the result of refinement, the reliability factor (R) of molecule (II) have been determined as 0.044. The molecule has a intramolecular N-H...0 hydrogen bond which verify the molecule adopts the keto- amine tautomerism. The molecule has also two intermolecular O-H...O hydrogen bonds. The unit cell parameters of molecule C8H12N2O3, (III) are a=6.7859(9)Â, b=22.1211(18)Â, c=l 2.5795(1 3)Â, cc=90°, p=90.902(9)° and y=90°. The unit cell of this crystal is in the monoclinic P 2i space group. In the result of refinement, the reliability factor (R) of molecule (III) have been determined as 0.0356. The asymmetric unit ofIV molecule (III) contains four independent molecules. Intermolecular eight N-H...0 hydrogen bonds form a three dimensional network. The unit cell parameters of molecule C13H29N3O5, (IV) are a=24.156(2)Â, b=14.743(2)Â, c=10.972(9)Â, a=90°, 0=102.85(7)° and y=90°. The unit cell of this crystal is in the monoclinic C 2/c space group. In the result of refinement, the reliability factor (R) of molecule (IV) have been determined as 0.0702. The asymmetric unit of molecule (IV) contains four independent molecules. The molecule (TV) has intermolecular eight N-H...O, 0-H...0 and 0-H...N hydrogen bonds. Three of them links the molecules to each other in the asymmetric unit. Key Words: Schiff base, Azo compounds