RT Journal Article
T1 Crystal Structure of a Cationic Bile Salt Derivative ([3β,5β,7α,12α]-3-(2-naphthyloylamino)-7,12-dihydroxycholan-24-triethylammonium iodide)
A1 Meijide del Río, Francisco Ángel
A1 Vázquez Tato, María del Pilar
A1 Seijas Vázquez, Julio Antonio
A1 Frutos del Río, Santiago de
A1 Trillo Novo, Juan Ventura
A1 Soto Tellini, Victor Hugo
A1 Vázquez Tato, José
K1 Crystal structure
K1 Steroid
K1 Bile acids
AB The crystal structure of the iodide salt of a quaternary ammonium derivative of cholic acid having a naphthalene group attached to the 3rd position of the steroid nucleus through an amide bond ([3β,5β,7α,12α]-3-(2-naphthyloylamino)-7,12-dihydroxycholan-24-triethylammonium iodide) has been resolved. The compound crystallizes in the P212121 orthorhombic space group (a/Å = 10.9458(3); b/Å = 12.1625(3); c/Å = 28.4706(7)). The lateral chain adopts a fully extended tttt conformation because the quaternary ammonium group cannot participate in the formation of hydrogen bonds. The iodide ion is involved in the formation of hydrogen bonds as well as the amide group and the two steroid hydroxy groups. Hirshfeld surface analysis confirms that these contacts, as well as the electrostatic interactions, stabilize the structure. The helixes around the 21 screw axis are right-handed ones
PB MDPI
YR 2019
FD 2019
LK http://hdl.handle.net/10347/21158
UL http://hdl.handle.net/10347/21158
LA eng
NO Meijide, F.; Vázquez-Tato, M.P.; Seijas, J.A.; de Frutos, S.; Trillo Novo, J.V.; Soto, V.H.; Vázquez Tato, J. Crystal Structure of a Cationic Bile Salt Derivative ([3β,5β,7α,12α]-3-(2-naphthyloylamino)-7,12-dihydroxycholan-24-triethylammonium iodide). Crystals 2019, 9, 135.
NO This research was funded by the Ministerio de Ciencia y Tecnología, Spain (Project MAT2017-86109-P)
DS Minerva
RD 24 abr 2026