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<journal-id journal-id-type="publisher">london-journal-of-engineering-research</journal-id>
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<journal-title>London Journal of Engineering Research</journal-title>
</journal-title-group>
<issn publication-format="print">2631-8474</issn>
<issn publication-format="electronic">2631-8482</issn>
<publisher><publisher-name>JournalsPress</publisher-name></publisher>
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<article-id pub-id-type="publisher-id">63977</article-id>
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<article-title>Oxalate Salts: Synthesis and X-ray Crystal Molecular Characterization of a 2-Methylimidazolium Containing H-bonded [C2O4HO4C2]3- and a 2:1 DABCOH/urea co-crystal</article-title>
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<volume>21</volume>
<issue>1</issue>
<fpage>1</fpage>
<lpage>12</lpage>
<abstract><p>Two new oxalate salts 0.5{[(C 4 H 7 N 2 ) 3 ] } (1) and [(C 6 H 13 N 2 ) 2 ] (2) have been isolated and characterized by single-crystal X-ray diffraction. Salt 1 crystallizes in the triclinic system, space group P-1 with a = 7.909(14), b = 8.538(14), c = 9.030(15) ??, ?ñ = 115.26 (4)?ø, ?ý = 109.22 (7)?ø, ?? = 95.38 (8)?ø, V = 500.7 (15) ?? 3 and Z = 2. Salt 2 crystallizes in the monoclinic system, space group C2/c with a = 21.376 (4), b = 9.9127 (15), c = 19.046 (3) ??, ?ý = 112.756 (9)?ø, V = 3721.6 (11) ?? 3 and Z = 8. In 1 a hydrogen atom is shared by two O atoms of the hydrogen oxalate and the oxalate has a statistical occupancy of 0.5 on each O site leading to a 1:1 hydrogen oxalate/oxalate mixture in the crystal. One 2-methylimidazolium cation exhibits positional disorder. Hydrogen oxalate/oxalate pairs are linked by cations via N??H?ú?ú?ú(O,O) hydrogen bonds leading to chains, which are then connected through N??H?ú?ú?úO hydrogen bonds yielding a sheet structure. C??H?ú?ú?úO hydrogen bonds are also present in the crystal. In the co- crystal 2, the monoprotonated DABCO and urea molecules are connected to the oxalate through N??H?ú?ú?ú(O,O) bifurcated hydrogen bonds and N??H?ú?ú?úO hydrogen bonds, respectively. Moreover, N??H?ú?ú?úN hydrogen bonds link monoprotonated DABCO to urea molecules in addition to inner C??H?ú?ú?úO oxalate interactions and intermolecular C??H?ú?ú?úO urea hydrogen bonding interactions. The inter-species hydrogen bonding interactions give rise to a supramolecular three-dimensional structure. In both compounds 1 and 2, the oxalate anion is twisted.</p></abstract>
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<p>Two new oxalate salts 0.5{[(C 4 H 7 N 2 ) 3 ][C 2 O 4 HC 2 O 4 ]} (1) and [(C 6 H 13 N 2 ) 2 ][CH 4 ON 2 ][C 2 O 4 ] (2) have been isolated and characterized by single-crystal X-ray diffraction. Salt 1 crystallizes in the triclinic system, space group P-1 with a = 7.909(14), b = 8.538(14), c = 9.030(15) ??, ?ñ = 115.26 (4)?ø, ?ý = 109.22 (7)?ø, ?? = 95.38 (8)?ø, V = 500.7 (15) ?? 3 and Z = 2. Salt 2 crystallizes in the monoclinic system, space group C2/c with a = 21.376 (4), b = 9.9127 (15), c = 19.046 (3) ??, ?ý = 112.756 (9)?ø, V = 3721.6 (11) ?? 3 and Z = 8. In 1 a hydrogen atom is shared by two O atoms of the hydrogen oxalate and the oxalate has a statistical occupancy of 0.5 on each O site leading to a 1:1 hydrogen oxalate/oxalate mixture in the crystal. One 2-methylimidazolium cation exhibits positional disorder. Hydrogen oxalate/oxalate pairs are linked by cations via N??H?ú?ú?ú(O,O) hydrogen bonds leading to chains, which are then connected through N??H?ú?ú?úO hydrogen bonds yielding a sheet structure. C??H?ú?ú?úO hydrogen bonds are also present in the crystal. In the co- crystal 2, the monoprotonated DABCO and urea molecules are connected to the oxalate through N??H?ú?ú?ú(O,O) bifurcated hydrogen bonds and N??H?ú?ú?úO hydrogen bonds, respectively. Moreover, N??H?ú?ú?úN hydrogen bonds link monoprotonated DABCO to urea molecules in addition to inner C??H?ú?ú?úO oxalate interactions and intermolecular C??H?ú?ú?úO urea hydrogen bonding interactions. The inter-species hydrogen bonding interactions give rise to a supramolecular three-dimensional structure. In both compounds 1 and 2, the oxalate anion is twisted.</p>
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