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- W834363573 abstract "In a series of salts of ethane-1,2-diamine with acetic (1), trifluoroacetic (2), trichloroacetic (3), and dichloroacetic (4) acids, the amine is doubly protonated so the cation:anion stoichiometry is 2:1. In 1 and 2, dications are lying across the center of symmetry (Z′ = 1/2), in 4 dication is nonsymmetric (Z′ = 1), while the structure of 3 contains both symmetric and nonsymmetric cations (Z′ = 3/2). All dications, either symmetric or not, are in extended (trans) form, by far the most popular among the salts of ethane-1,2-diamine. Strong hydrogen N–H···O bonds constitute the main specific, directional force determining the crystal packing. In 1, one of the N–H hydrogen atoms is involved in bifurcated hydrogen bonds, and in this case, four alresaacceptor oxygen atoms are almost equally involved in accepting the hydrogen bonds; in consequence, the C–O bond lengths are almost equal. In all other cases, the C–O bonds with oxygen atoms involved in more hydrogen bonds are systematically longer than those which accept less such interactions. Halogen C–Cl···O interactions are observed in two (out of five) symmetry-independent anions of 3 and 4, suggesting that at least in this series, the roles of these interactions are only secondary in nature. No significant involvement of fluorine atoms in directional interactions is detected, however. The hydrogen-bond networks are described by means of graph-set method. In addition, Hirshfeld surfaces are used to detect and visualize the differences between similar moieties, and fingerprint plots are presented in order to analyze the mutual importance of different kinds of interactions." @default.
- W834363573 created "2016-06-24" @default.
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- W834363573 date "2015-06-30" @default.
- W834363573 modified "2023-10-14" @default.
- W834363573 title "Crystal packing modes in the salts of ethane-1,2-diamine with acetic acid and its halogeno derivatives" @default.
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- W834363573 doi "https://doi.org/10.1007/s13738-015-0688-7" @default.
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