Addnl. data considered in abstracting and indexing are available from a source cited in the original document. C9H15NO4 was used as a model to det. the geometry of the monomeric unit of poly-(L-azetidinecarboxylic acid) (PACA). The crystals are orthorhombic, space group P212121, with a 8.249(8), b 10.904(9), and c 12.327(11) Å, and Z = 4. The structure was refined to a final R of 0.050. The azetidine ring and the oxycarbonyl group linked to the N atom are in the same plane with the greatest at. deviation 0.05 Å. The mol. packing is characterized by H bonds along c and by van der Waals interactions, the strongest of which is between Me and CH2 groups. The bond distances and angles were used to analyze the conformation of PACA as a function of 2 angles of rotation. The potential-energy calcns. show the presence of 2 min., deeper than the others, in agreement with spectroscopic results.
The crystal and molecular structure of N-(t-butyloxycarbonyl)-L-azetidine-2-carboxylic acid and conformational analysis of poly-(L-azetidinecarboxylic acid) / M., Cesari; D'Ilario, Lucio; Giglio, Edoardo; G., Perego. - In: ACTA CRYSTALLOGRAPHICA. SECTION B, STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY. - ISSN 0567-7408. - STAMPA. - 31:1(1975), pp. 49-55. [10.1107/s0567740875002099]
The crystal and molecular structure of N-(t-butyloxycarbonyl)-L-azetidine-2-carboxylic acid and conformational analysis of poly-(L-azetidinecarboxylic acid)
D'ILARIO, LUCIO;GIGLIO, Edoardo;
1975
Abstract
Addnl. data considered in abstracting and indexing are available from a source cited in the original document. C9H15NO4 was used as a model to det. the geometry of the monomeric unit of poly-(L-azetidinecarboxylic acid) (PACA). The crystals are orthorhombic, space group P212121, with a 8.249(8), b 10.904(9), and c 12.327(11) Å, and Z = 4. The structure was refined to a final R of 0.050. The azetidine ring and the oxycarbonyl group linked to the N atom are in the same plane with the greatest at. deviation 0.05 Å. The mol. packing is characterized by H bonds along c and by van der Waals interactions, the strongest of which is between Me and CH2 groups. The bond distances and angles were used to analyze the conformation of PACA as a function of 2 angles of rotation. The potential-energy calcns. show the presence of 2 min., deeper than the others, in agreement with spectroscopic results.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
