In the title hydrated salt, C 4 H 10 NO 3 + ÁC 7 H 7 O 3 S À ÁH 2 O, an intramolecular C-HÁ Á ÁO hydrogen bond in the cation generates an S(6) loop. In the crystal, carboxyl-O-HÁ Á ÁO(sulfonate), hydroxyl-O-HÁ Á ÁO(sulfonate), water-O-HÁ Á ÁO(sulfonate, hydroxyl) and ammonium-N-HÁ Á ÁO(water, carbonyl) hydrogen bonds link the components of the asymmetric unit into supramolecular layers parallel to (001).
Structure descriptionHaving a non-centrosymmetric crystal is an important requisite for second harmonic generation (Etter & Huang, 1992; Sarma et al., 1994). As part of our studies in this area, we now describe the crystal structure of the title hydrated molecular salt (Fig. 1), which crystallizes in the non-centrosymmetric space group P2 1 . It crystallizes with one independent cation, an anion and a water molecule in the asymmetric unit.There is an intramolecular C11-H11BÁ Á ÁO5 hydrogen bond within the cation, which generates an S(6) ring, Table 1. The crystal structure features a variety of hydrogen bonds, as listed in Table 1. As seen from Fig. 2, the hydrogen bonds connect the constituents of the asymmetric unit into supramolecular layers that stack along the c-axis direction.
Synthesis and crystallizationp-Toluenesulfonic acid monohydrate (1.902 g, 0.0099 mol) and l-threonine (1.191 g, 0.0099 mol) were mixed in deionized water. The solution was stirred well using a magnetic stirrer for about 4 h to obtain a homogeneous solution. Then, the solution was
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