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AbstractAbstract
[en] The 1 : 1 adduct of 2,4,6-trinitrobenzoic acid (tnba) with 2,6-diaminopyridine (2,6-dap), [(2,6-dap)+ (tnba)- ], has been prepared and the low-temperature crystal structure has been determined by X-ray crystallography. A modulated structure has been identified and refined by using a stacking fault model that requires reflection data to be put on three scales depending on an index condition. Crystals are triclinic, space group P1-, with Z 8 in a cell of dimensions a 13.538(3), b 14.516(4), c 16.480(4) Angstroms; α 97.17(2), β 105.69(2), y 06.09(2) deg. The structure involves proton transfer from the tnba molecule to the 2,6-dap molecule, with the resulting pyridinium proton and an amine proton interacting with the carboxyl oxygens of the tnba molecule in a primary cyclic hydrogen-bonding association. Additional peripheral hydrogen bonding completes a two-dimensional sheet structure. Copyright (2000) CSIRO Australia
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12 refs., 1 tab., 2 figs. Full text (PDF) available from the publisher's Web site (subscription required) at, http://www.publish.csiro.au/journals/ajch
Record Type
Journal Article
Literature Type
Numerical Data
Journal
Australian Journal of Chemistry; ISSN 0004-9425;
; v. 53(6); p. 531-534

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