On racemic and L-malates: A comparison of their crystal structures

Autor(en)

Michel Fleck, Ekkehart Tillmanns, Ladislav Bohaty, P Held

Abstrakt

The crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space group P21, Z = 2) L-malates Ca(C4H 4O5) ž 3 H2O (a = 6.652(1) A°, b = 8.378(1) A°, c = 8.268(1) A°, ß = 112.65(2)°, R = 0.027), Ni(C4H4O5) ž 3 H2O (a = 5.762(1)A°, b = 9.006(2) A°, c = 8.406(1) A°, ß = 105.54(1)°, R = 0.024), CuH2(C4H4O 5)2 (a = 9.911(1) A°, b = 5.271(1) A°, c = 11.510(1)A°, ß = 109.33(1)°, R = 0.031), CsH(C4H 4O5) ž H2O (a = 7.439(1) A°, b = 7.481(1) A°, c = 7.852(1) A°, ß = 116.61(1)°, R = 0.027) as well as the four isomorphic tetragonal (space group P412 12, Z = 4) L-malates MgH2(C4H4O 5)2 ž 4 H2O (a = 7.524(1) A°, c = 27.459(2) A°, R = 0.041), MnH2(C4H4O 5)2 ž 4 H2O (a = 7.548(1) A°, c = 27.707(2) A°, R = 0.027), CoH2(C4H4O 5)2 ž 4 H2O (a = 7.519(1) A°, c = 27.537(2) A°, R = 0.030) and ZnH2(C4H 4O5)2 ž 4 H2O (a = 7.533(1) A°, c = 27.360(2) A°, R = 0.029). A comparison of the atomic arrangements of L-malates with their racemic counterparts shows different aspects of symmetry as well as differences in the connectivity of the building units. In addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

Organisation(en)

Institut für Mineralogie und Kristallographie

Externe Organisation(en)

Universität zu Köln

Journal

Zeitschrift für Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials

Band

219

Seiten

101-111

Anzahl der Seiten

11

ISSN

0044-2968

Publikationsdatum

2004

Peer-reviewed

Ja

ÖFOS 2012

1051 Geologie, Mineralogie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/35920770-b987-46fd-b86d-2cb0b2ab6108