Molekulske i kristalne strukture derivata hidroksamske kiseline

master's thesis

• Title (english): Molecular and crystal structure of hydroxamic acid derivative
• Author: Doris Veličković
• Mentor: Ivica Đilović (mentor)
• Committee member: Ivica Đilović (predsjednik povjerenstva)
• Committee member: Sanda Rončević (član povjerenstva)
• Committee member: Vesna Petrović-Peroković (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2019-09-30, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

Hidroksamske kiseline su slabe organske kiseline koje se rabe u farmaceutskoj industriji, prehrambenoj industriji i metalurgiji. Poznati su kelatori iona metala te se koriste u njihovoj ekstrakciji iz okoline, a u novije vrijeme rabe se u liječenju brojnih bolesti.
Cilj ovoga rada bio je sintetizirati novi derivat hidroksamske kiseline i odrediti njegovu molekulsku i kristalnu strukturu. Rendgenskom strukturnom analizom na jediničnom kristalu utvrđeno je da derivat hidroksamske kiseline, N,N',N''-tribenziloksidikarbonimidni diamid kristalizira u triklinskom sustavu te da su u asimetričnoj jedinici pronađene dvije simetrijski neovisne molekule slične konformacije. Duljine veza i valentni kutevi u skladu su s već opaženima za slične spojeve. Karakteristično za priređeni spoj jest da njegove molekule posjeduju unutarmolekulsku vodikovu vezu koja „zaključava“ konformaciju središnjeg dijela molekule, tj. čini ga planarnim. U kristalnoj strukturi, molekule su povezane u centrosimetrične dimere koji su vodikovim i slabijim interakcijama povezani u lance.

Abstract (english)

Hydroxamic acids are weak organic acids that are used in the pharmaceutical or food industries and metallurgy. They are known as good metal ion chelators which is particulary useful in extraction from the environment or in the treatment of many diseases.
The aim of this study was to synthesize a new hydroxamic acid derivative and to determine its molecular and crystal structure. X-ray structural analysis on a single crystal revealed that the hydroxamic acid derivative, namely, N, N',N''- tribenzyloxydicarbonimide diamide crystallizes in the triclinic system with two symmetrically independent molecules (of similar conformation) in the asymmetric unit. The bond lengths and valence angles are comparable to those found in the literature. Characteristic of the prepared compound is that its molecules have an intramolecular hydrogen bond that "locks" the conformation of the central part of the molecule, i.e., makes it planar. In the crystal structure, the molecules are linked into centrosymmetric dimers that are linked into chains by hydrogen and weak interactions.

• Keywords: derivat; hidroksamska kiselina; rendgenska strukturna analiza; struktura
• Keywords (english): derivative; hydroxamic acid; structure; X-ray structural analysis
• Language: croatian
• URN:NBN: urn:nbn:hr:217:187867
• Study programme: Title: Chemistry; Study programme type: university; Study level: graduate; Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access; Embargo expiration date: 2020-09-30
• Created on: 2020-01-10 13:33:37