Host-guest interaction in a thiourea-dimethyl oxalate (2/1) complex at 300 and 100 K

Chitra, R.; Roussel, Pascal; Choudhury, R. R.

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1107/S0108270106026084

PMID :

16954638

Permalink :

http://hdl.handle.net/20.500.12210/83774

Title :

Host-guest interaction in a thiourea-dimethyl oxalate (2/1) complex at 300 and 100 K

Author(s) :

Chitra, R. [Auteur]
Roussel, Pascal [Auteur]

Choudhury, R. R. [Auteur]

Journal title :

Acta Crystallogr. Sect. C-Cryst. Struct. Commun.

Abbreviated title :

Acta Crystallogr. Sect. C-Cryst. Struct. Commun.

Pages :

O547-O549

Publication date :

2006-09

ISSN :

0108-2701

HAL domain(s) :

Chimie

English abstract : [en]

The title complex, 2CH4N2S·C4H6O4, is a host–guest system. The asymmetric unit consists of one complete thiourea molecule and one-half of a dimethyl oxalate molecule lying on an inversion centre. The host thiourea ...
Show more >The title complex, 2CH4N2S·C4H6O4, is a host–guest system. The asymmetric unit consists of one complete thiourea molecule and one-half of a dimethyl oxalate molecule lying on an inversion centre. The host thiourea molecules are connected to form zigzag chains by N—H...S hydrogen bonds. The guest dimethyl oxalate molecules provide O-atom acceptors for N—H...O hydrogen bonds, thus interconnecting the chains of thiourea molecules to form completely connected sheets. The reduction in temperature from 300 to 100 K leaves the structure unchanged and still isostructural with that previously determined for the analogous thiourea–diethyl oxalate (2/1) complex. It does, however, induce closer packing of the molecules, general shrinkage of the unit cell and shortening of the hydrogen bonds, these last two to the extent of 1–2%.Show less >

Language :

Anglais

Administrative institution(s) :

Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois

Collections :

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Research team(s) :

Matériaux inorganiques, structures, systèmes et propriétés (MISSP)

Submission date :

2023-05-30T18:26:20Z

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