Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)

Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)

The title compound, C20H32N5O8P·0.5C4H6O4, is composed of two 9-{2-[bis(pivaloyloxymethoxy)phosphinylmethoxy]ethyl}adenine, commonly known as adefovir dipivoxil (AD), molecules linked to the carboxylic acid groups of succinic acid (SA). The asymmetric unit contains one molecule of AD an...

Full description

Bibliographic Details
Main Authors: Jeong-Myeong Ha, Sungyup Jung, Il Won Kim
Format: Article
Language:English
Published: International Union of Crystallography 2012-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812006873
id doaj-cd6a6232a2d34ade8e7f9b7859962654
record_format Article
spelling doaj-cd6a6232a2d34ade8e7f9b78599626542020-11-24T21:30:50ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-03-01683o809o81010.1107/S1600536812006873Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)Jeong-Myeong HaSungyup JungIl Won KimThe title compound, C20H32N5O8P·0.5C4H6O4, is composed of two 9-{2-[bis(pivaloyloxymethoxy)phosphinylmethoxy]ethyl}adenine, commonly known as adefovir dipivoxil (AD), molecules linked to the carboxylic acid groups of succinic acid (SA). The asymmetric unit contains one molecule of AD and half a molecule of SA, which sits on an inversion center. Both adenine units in the two AD molecules make AD–SA N—H...O and SA–AD O—H...N hydrogen bonds to SA. In addition, the intermolecular AD–AD N—H...O—P hydrogen bond serves to stabilize the cocrystal. There is also a π–π stacking interaction [interplanar spacing 3.34 (19) Å] between adjacent inversion-related adenine groups.http://scripts.iucr.org/cgi-bin/paper?S1600536812006873
collection DOAJ
language English
format Article
sources DOAJ
author Jeong-Myeong Ha
Sungyup Jung
Il Won Kim
spellingShingle Jeong-Myeong Ha
Sungyup Jung
Il Won Kim
Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
Acta Crystallographica Section E
author_facet Jeong-Myeong Ha
Sungyup Jung
Il Won Kim
author_sort Jeong-Myeong Ha
title Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
title_short Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
title_full Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
title_fullStr Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
title_full_unstemmed Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
title_sort bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonate–succinic acid (2/1)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-03-01
description The title compound, C20H32N5O8P·0.5C4H6O4, is composed of two 9-{2-[bis(pivaloyloxymethoxy)phosphinylmethoxy]ethyl}adenine, commonly known as adefovir dipivoxil (AD), molecules linked to the carboxylic acid groups of succinic acid (SA). The asymmetric unit contains one molecule of AD and half a molecule of SA, which sits on an inversion center. Both adenine units in the two AD molecules make AD–SA N—H...O and SA–AD O—H...N hydrogen bonds to SA. In addition, the intermolecular AD–AD N—H...O—P hydrogen bond serves to stabilize the cocrystal. There is also a π–π stacking interaction [interplanar spacing 3.34 (19) Å] between adjacent inversion-related adenine groups.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812006873
work_keys_str_mv AT jeongmyeongha bis22dimethylpropanoyloxymethyl26amino9hpurin9ylethoxymethylphosphonateamp8211succinicacid21
AT sungyupjung bis22dimethylpropanoyloxymethyl26amino9hpurin9ylethoxymethylphosphonateamp8211succinicacid21
AT ilwonkim bis22dimethylpropanoyloxymethyl26amino9hpurin9ylethoxymethylphosphonateamp8211succinicacid21
_version_ 1725961423197044736

Similar Items