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Title: Crystal structure and conformational studies of some biologically important organic compounds
Researcher: Nirmala, S
Guide(s): Sudha, L
Keywords: Crystal structure determination
Chromeno pyrrole derivatives
Indole derivatives
Pyrrolidine derivatives
a pyrrolopyrrole derivative
pyrrolizine derivatives
spiro piperazine derivative
Upload Date: 7-Aug-2013
University: SRM University
Completed Date: 2010
Abstract: The objective of the thesis is to determine the crystal structure of the biologically important organic compounds by X-ray diffraction methods and analyse the conformational features which have applications in medicinal, biological and pharmaceutical fields. Out of the sixteen compounds studied, five of them belong to chromenopyrroles, two indoles, three pyrrolidines, one pyrrolopyrrole, three pyrrolizines, one piperazine and a furan compound. The antibacterial activities of six compounds are studied and the screening results are presented. The docking studies of four compounds are carried out and the results are analysed. The work reported in this thesis is divided into seven chapters with the addition of two appendices. Chapter 1 presents a brief summary of the crystal structure determination methods and the importance of heterocyclic compounds. The five- and six-membered heterocyclic ring compounds occupy a prominent place among various classes of organic compounds for their diverse biological activities. The three-dimensional structure details of the compounds are given in Chapters 2 to 7. Chapter 2 describes the crystal structure analysis of five chromenopyrrole derivatives, namely (3aS,9bR)-Methyl 1-methyl-3-phenyl- 1,2,3,3a,4, 9b-hexahydrochromeno[4,3-b] pyrrole-3a-carboxylate [CP1], Methyl 3-(4-chlorophenyl)-1,2,3,3a,4,9b-hexahydro-1-chromeno[4,3-b]pyrrole- 3a-carboxylate [CP2], (3aRS,9bSR)-3-(4-Chlorophenyl)-1-methyl-1,2,3,3a, 4, 9b- hexahydrochromeno[4,3-b]pyrrole-3a-carbonitrile [CP3], Methyl 1-methyl-3-p-tolyl-1, 2, 3, 3a, 4,11c-hexahydrobenzo[f]chromeno[4,3-b]- pyrrole 3acarboxylate CP4] and Methyl 3-(4-bromophenyl)-1-methyl-1, 2, 3, 3a, 4, 9bvii newlinehexahydrobenzo[f]-chromeno [4,3-b] pyrrole-3a-carboxylate [CP5]. The compounds CP1 and CP2 crystallize in triclinic system with space group P1, whereas CP3 and CP5 in monoclinic space group P21/c and CP4 in space group P21/n. All the structures are solved by direct methods and refined by full-matrix least-squares procedures.
Pagination: xxix,323p.
Appears in Departments:Department of Physics

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01_title.pdfAttached File54.42 kBAdobe PDFView/Open
02_declaration.pdf81.75 kBAdobe PDFView/Open
03_bonafide.pdf82.03 kBAdobe PDFView/Open
04_acknowledge.pdf84.66 kBAdobe PDFView/Open
05_abstract.pdf146.77 kBAdobe PDFView/Open
06_table of contents.pdf90.22 kBAdobe PDFView/Open
07_list of tables.pdf157.39 kBAdobe PDFView/Open
08_chapter1.pdf225.43 kBAdobe PDFView/Open
09_chapter2.pdf783.94 kBAdobe PDFView/Open
10_chapter3.pdf429.62 kBAdobe PDFView/Open
11_chapter4.pdf765.47 kBAdobe PDFView/Open
12_chapter5.pdf484.78 kBAdobe PDFView/Open
13_chapter6.pdf164.54 kBAdobe PDFView/Open
14_chapter7.pdf236.82 kBAdobe PDFView/Open
15_appendix1.pdf477.71 kBAdobe PDFView/Open
16_appendix2.pdf626.57 kBAdobe PDFView/Open
17_reference.pdf121.68 kBAdobe PDFView/Open
18_list of publications.pdf78.33 kBAdobe PDFView/Open
19_vitae.pdf63.95 kBAdobe PDFView/Open

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