1:1 Cocrystal of (S)-3-(ammoniomethyl)-5-methylhexanoate and (S)-mandelic acid

被引：11

作者：

Samas, Brian ^{[1
]}

Wang, Wei ^{[1
]}

Godrej, Delara B. ^{[1
]}

机构：

[1] Pfizer Global Res & Dev Pharmaceut Sci, Ann Arbor, MI 48105 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2007年 / 63卷

关键词：

D O I：

10.1107/S1600536807041803

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C8H17NO2·C8H8O3, exists as a complex with the base (pregabalin) in the predicted zwitterion form, based on the pKa differences between the acid and base. The asymmetric unit consists of two molecules of each component. The -NH3 group adopts the standard propeller conformation. The structure forms pairs of hydro-phobic and hydro-philic inter-actions along both the a and c axes. © International Union of Crystallography 2007.

引用

页码：O3938 / U1971

页数：13

共 8 条

[1]

*BRUK AXS INC, 2005, APEX 2 VERS 2 1

[2]

Bruker, 2003, SAINT PLUS VERS 6 45

[3] Chemical development of CI-1008, an enantiomerically pure anticonvulsant [J].

Hoekstra, MS ;

Sobieray, DM ;

Schwindt, MA ;

Mulhern, TA ;

Grote, TM ;

Huckabee, BK ;

Hendrickson, VS ;

Franklin, LC ;

Granger, EJ ;

Karrick, GL .

ORGANIC PROCESS RESEARCH & DEVELOPMENT, 1997, 1 (01) :26-38

[4]

MULHERN TA, 1996, GORD C NEW HAMPT SCH

[5]

Pope W.J., 1899, Journal of the Chemical Society, Transactions, V75, P1066

[6]

Sheldrick G. M., 1997, SHELXS 97 PROGRAM CR, P38

[7]

Sheldrick G.M., 2002, SADABS

[8]

SHELDRICK GM, 1996, XP

← 1 →