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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >X-ray studies on crystalline complexes involving amino acids and peptides. XXXIX. Crystal structures of malonic acid complexes of DL- and L-histidine. Preservation of aggregation pattern on reversal of chirality
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X-ray studies on crystalline complexes involving amino acids and peptides. XXXIX. Crystal structures of malonic acid complexes of DL- and L-histidine. Preservation of aggregation pattern on reversal of chirality

机译:对涉及氨基酸和肽的晶体复合物进行X射线研究。 XXXIX。 DL-和L-组氨酸的丙二酸复合物的晶体结构。保留手性反转的聚集模式

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The malonic acid complexes of DL- and L-histidine are made up of zwitterionic positively charged histidinium ions and semimalonate (hydrogen malonate) ions. They crystallise in space groups P2(1) and P2(1), respectively, with nearly the same unit-cell parameters. The molecules aggregate in the two complexes in a remarkably similar manner. The two sets of crystallographically independent molecules are related by a pseudo-glide plane. This pseudo-symmetry is almost exact except in the case of the alpha-carboxylate group and, to some extent, the alpha-C and the alpha-N atoms. Preservation of the aggregation pattern to such an extent on the reversal of chirality of half the amino-acid molecules is observed for the first time in amino-acid complexes. This is achieved at the cost of considerable conformational strain in one of the two histidinium ions in the L-histidine complex. [References: 33]
机译:DL-和L-组氨酸的丙二酸复合物由两性离子带正电的组氨酸离子和半丙二酸(丙二酸氢)离子组成。它们分别以几乎相同的晶胞参数在空间群P2(1)/ n和P2(1)中结晶。分子以非常相似的方式聚集在两个复合物中。两组在晶体学上独立的分子通过伪滑行平面关联。除了α-羧酸酯基以及在某种程度上α-C和α-N原子的情况以外,这种伪对称几乎是精确的。在氨基酸复合物中首次观察到在一半氨基酸分子的手性逆转的程度上保持聚集模式。这是以L-组氨酸络合物中的两个组氨酸离子之一的相当大的构象应变为代价的。 [参考:33]

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