Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 11 (November 2007)


organic compounds



gz3095 scheme

Acta Cryst. (2007). C63, o655-o658    [ doi:10.1107/S0108270107046689 ]

Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate

G. Portalone and M. Colapietro

Abstract: In the 1:1 monohydrated molecular adduct 2,4-diamino-6-methyl-1,3,5-triazin-1-ium chloride 2,4-diamino-6-methyl-1,3,5-triazine monohydrate, C4H8N5+·Cl-·C4H7N5·H2O, formed between 2,4-diamino-6-methyl-1,3,5-triazin-1-ium chloride (acetoguanaminium chloride) and 2,4-diamino-6-methyl-1,3,5-triazine (acetoguanamine), and in triaminopyrimidinediium dichloride dihydrate, C4H9N52+·2Cl-·2H2O, whose cationic component lies across a twofold rotation axis, the protonation occurs at the ring N atoms and the bond distances in the protonated molecules indicate significant bond alterations, consistent with charge-separated polar forms. The supramolecular structures of both compounds are stabilized by systems of hydrogen bonds forming complex sheets, interlinked by sets of hydrogen bonds involving the solvent water molecules and the chloride anions.

Formula: C4H8N5+·Cl-·C4H7N5·H2O and C4H9N52+·2Cl-·2H2O


hkldisplay filedownload file

Structure factor file (CIF format) (111.9 kbytes)
[ doi:10.1107/S0108270107046689/gz3095Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (70.7 kbytes)
[ doi:10.1107/S0108270107046689/gz3095IIsup3.hkl ]
Contains datablock II


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