http://www.cnr.it/ontology/cnr/individuo/prodotto/ID309208
Calcium acamprosate: a triclinic polymorph (Articolo in rivista)
- Type
- Label
- Calcium acamprosate: a triclinic polymorph (Articolo in rivista) (literal)
- Anno
- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1107/S1600536811046940 (literal)
- Alternative label
Maccaroni, Elisabetta; Panzeri, Walter; Malpezzi, Luciana (2011)
Calcium acamprosate: a triclinic polymorph
in Acta crystallographica. Section E
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Maccaroni, Elisabetta; Panzeri, Walter; Malpezzi, Luciana (literal)
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- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Polytechnic University of Milan; Consiglio Nazionale delle Ricerche (CNR) (literal)
- Titolo
- Calcium acamprosate: a triclinic polymorph (literal)
- Abstract
- The title compound, poly[bis(mu(3)-4-acetamidopropanesulfonato) calcium], [Ca(C5H10NO4S)(2)](n), is a triclinic polymorph of the previously reported monoclinic structure [Toffoli et al. (1988). Acta Cryst. C44, 1493-1494]. The triclinic modification was found to have an all-trans configuration of the acetamidopropane chain, in contrast with the monoclinic polymorph which shows an angle of 74.66 (8)degrees between the S-C-C-C chain plane and that of the amide group. The Ca2+ cation is situated on an inversion centre and is hexacoordinated by six O atoms belonging to different anions in a distorted octahedral geometry. This arrangement leads to a layered structure parallel to (011). The layers are held together by N-H center dot center dot center dot O hydrogen bonds and by short C-H center dot center dot center dot O interactions, both involving the sulfonate O atoms not coordinated to the Ca2+ cations. The structure was determined from a crystal twinned by non-merohedry [twin law ((1) over bar 00, 0 (1) over bar0, -0.335 -0.85 1), with a fractional contribution of the minor twin domain of 46.7 (1)%]. (literal)
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