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Master's Dissertation
DOI
10.11606/D.54.2016.tde-15042016-170348
Document
Author
Full name
Vasco Nogueira de Almeida
Institute/School/College
Knowledge Area
Date of Defense
Published
São Carlos, 1977
Supervisor
Title in Portuguese
Estudo cristalográfico do ácido n- acetilantranilico
Keywords in Portuguese
Ácido n- acetilantranilico
Difração de raios X
Estrutura cristalina
Abstract in Portuguese
Foi efetuado o estudo cristalográfico do ácido N-acetilantranílico (C9H903N) sendo apresentados os fundamentos teóricos e computacionais para determinar a sua estrutura. Os dados de 899, reflexões independentes, foram obtidos num difratômetro automático CADA KAPPA com radiação ka do cobre e processados pelo conjunto de programas denominado "STRUCTURE DETERMINATION PACKAGE", (SDP), desde sua redução ate à conclusão o trabalho; Os cristais do ácido N-acetilantranílico são incolores e em forma de placas retangulares e pertencem ao grupo espacial Fdd2 com a = 10,845 (9) R , b = 30,204 (7) R , c = 10,575 (4) R , a = 3 = y = 90° , V = 3464 (5) R3, d cal = 1,374 a/cm3, d obs 1,36 g/cm 3 , Z = 16 moléculas por cela. As moléculas do ácido N-acetilantranílico são planares e formadas Por um anel benzênico ao qual estão ligados em carbonos adjacentes um grupo carboxila e um radical acetamida. Uma ponte de hidrogênio entre a carboxila e a acetamida fazem a ligação entre as moléculas. As moléculas assim ligadas formam uma cadeia que se desenvolve em planos alternados, aproximadamente (301) e (J01). Cadeias vizinhas desenvolvem-se nos planos (501) e (301)
Title in English
Crystal structure of n-acetylantranilic acid
Keywords in English
Crystal structure
N-acetylantranilic acid
X-ray diffraction
Abstract in English
In this thesis it is intended to study the N-acetyl Anthranilic Acid (C9 H9 O 3 N). Fundamentals of theoretical and computational are presented in order to determine its Structure. Data of 899 independent reflexions were obtained by -using the Automatic Difratometer (CADA KAPPA) with a ka copper radiation. "STRUCTURE DETERMINATION PACKAGE" (SDP) Programs were used during - this work. N-Acetyl Anthranilic Acid Crystals are in the form of rectangular plates which are transparent and belong to the spatial groupFdd2 where a = 10.845 (9) R , b = 30.204 (7) R , c 10.575 (4) R , a = 8 = y = 90 0 , V = 3464 (5) g3 , d cal = 1,374 ' g/cm 3 , d obs = 1,36 g/cm3 , Z = 16 molecules by cell. The N-Acetyl Anthranilic Acide Molecules is formed ' by a benzenic ring which is bonded to adjacent carbon, a carboxyl and a acetamide groups. Two molecules are bonded through Hydrogen bridge between the carboxyl and acetamide. The molecules are bonded such a way to form a chain with alternate planes (301) and (301). The neibouring chains are in connection with the first chain formed with the planes (301) ' and (301)
 
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Publishing Date
2016-04-18
 
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