DL-Alaninium Semi-Oxalate Monohydrate Full article
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Acta Crystallographica Section C
, E-ISSN: 2053-2296 |
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| Output data | Year: 2011, Volume: 67, Number: 2, Pages: o47-o51 Pages count : 5 DOI: 10.1107/S0108270110053655 | ||||
| Tags | Alanine, Crystallography, X-Ray, Hydrogen Bonding, Ions, Molecular Structure, Oxalates, Stereoisomerism, Water | ||||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Civilian Research and Development Foundation | RUX0-008-NO-06 |
| 2 | Russian Foundation for Basic Research | 09-03-00451 |
Abstract:
The structure of the title compound, C3H8NO 2 +·C2HO4 -·H2O, is formed by two chiral counterparts (l- and d-alaninium cations), semi-oxalate anions and water mol-ecules, with a 1:1:1 cation-anion-water ratio. The structure is compared with that of the previously known anhydrous dl-alaninium semi-oxalate [Subha Nandhini, Krishnakumar & Natarajan (2001). Acta Cryst. E57, o666-o668] in order to investigate the role of water mol-ecules in the crystal packing. The structure of the hydrate resembles that of anhydrous alaninium semi-oxalate, with the water mol-ecule incorporated into the general three-dimensional network of hydrogen bonds where it forms four hydrogen bonds with neighbours disposed tetrahedrally about it. Although the main structural motifs in the hydrate and in the anhydrous form are topologically similar, the incorporation of water mol-ecules in the network results in significant geometric distortion. There are several types of hydrogen bond in the crystal structure of the hydrate, two of which (O-H⋯O bonds between the semi-oxalate anions and O-H⋯O hydrogen bonds between water and alaninium cations) are very short. Such hydrogen bonds between semi-oxalate anions are also present in the anhydrous form of this compound. Short distances between semi-oxalate anions in neighbouring chains in the hydrate alternate with longer ones, whereas in the anhydrous structure they are equidistant. Despite the similarity of these compounds, dehydration of the hydrate on storage is not of a single-crystal to single-crystal type, but gives a polycrystalline pseudomorph, preserving the crystal habit. This transformation proceeds through the formation of an inter-mediate compound, presumably a hemihydrate. © 2011 International Union of Crystallography.
Cite:
Zakharov B.A.
, Boldyreva E.V.
DL-Alaninium Semi-Oxalate Monohydrate
Acta Crystallographica Section C. 2011. V.67. N2. P.o47-o51. DOI: 10.1107/S0108270110053655 WOS Scopus РИНЦ ANCAN OpenAlex
DL-Alaninium Semi-Oxalate Monohydrate
Acta Crystallographica Section C. 2011. V.67. N2. P.o47-o51. DOI: 10.1107/S0108270110053655 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Nov 13, 2010 |
| Accepted: | Dec 12, 2010 |
| Published online: | Jan 7, 2011 |
| Published print: | Feb 15, 2011 |
Identifiers:
| Web of science: | WOS:000286834900007 |
| Scopus: | 2-s2.0-79551693380 |
| Elibrary: | 16644446 |
| Chemical Abstracts: | 2011:130938 |
| Chemical Abstracts (print): | 154:422950 |
| OpenAlex: | W1981988377 |