The 2:1 inclusion compound formed between deoxycholic acid (C24H40O4,M r=392.58) and quadricyclane (C7H8,M r=92.14) crystallizes in space groupP212121 witha=27.150(7),b=13.359(3),c=14.161(4) Å,Z=4. The structure was refined toR=0.086 andR w=0.088 for 2079 observed reflections withI>2.5sgr(I). The crystal packing is very similar to that found in the norbornadiene-deoxycholic acid inclusion compound and is characterized by an assembly of antiparallel pleated bilayers, formed by molecules of deoxycholic acid held together through hydrogen bonds. Quadricyclane occupies approximately the same position of norbornadiene and its atoms give rise to good van der Waals interactions with some methyl groups of deoxycholic acid.
Crystal Structure of the 2:1 Inclusion Compound between Deoxycholic Acid and Quadricyclane / Vincenza Maria, Coiro; Edoardo, Giglio; Fernando, Mazza; Pavel, Nicolae Viorel. - In: JOURNAL OF INCLUSION PHENOMENA. - ISSN 0167-7861. - STAMPA. - 1:4(1984), pp. 329-337. [10.1007/bf00665476]
Crystal Structure of the 2:1 Inclusion Compound between Deoxycholic Acid and Quadricyclane
PAVEL, Nicolae Viorel
1984
Abstract
The 2:1 inclusion compound formed between deoxycholic acid (C24H40O4,M r=392.58) and quadricyclane (C7H8,M r=92.14) crystallizes in space groupP212121 witha=27.150(7),b=13.359(3),c=14.161(4) Å,Z=4. The structure was refined toR=0.086 andR w=0.088 for 2079 observed reflections withI>2.5sgr(I). The crystal packing is very similar to that found in the norbornadiene-deoxycholic acid inclusion compound and is characterized by an assembly of antiparallel pleated bilayers, formed by molecules of deoxycholic acid held together through hydrogen bonds. Quadricyclane occupies approximately the same position of norbornadiene and its atoms give rise to good van der Waals interactions with some methyl groups of deoxycholic acid.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
