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Loh, Wan-Sin, Kwong, Huey Chong, Kumar, C.S. Chidan, Quah, Ching Kheng (2018) Structural investigation and Hirshfeld surface analysis of three organic picrate salts. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 27-34 doi:10.1515/zkri-2017-2082

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Reference TypeJournal (article/letter/editorial)
TitleStructural investigation and Hirshfeld surface analysis of three organic picrate salts
JournalZeitschrift für Kristallographie - Crystalline Materials
AuthorsLoh, Wan-SinAuthor
Kwong, Huey ChongAuthor
Kumar, C.S. ChidanAuthor
Quah, Ching KhengAuthor
Year2018 (January 26)Volume233
Issue1
PublisherWalter de Gruyter GmbH
DOIdoi:10.1515/zkri-2017-2082Search in ResearchGate
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Mindat Ref. ID118061Long-form Identifiermindat:1:5:118061:3
GUID0
Full ReferenceLoh, Wan-Sin, Kwong, Huey Chong, Kumar, C.S. Chidan, Quah, Ching Kheng (2018) Structural investigation and Hirshfeld surface analysis of three organic picrate salts. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 27-34 doi:10.1515/zkri-2017-2082
Plain TextLoh, Wan-Sin, Kwong, Huey Chong, Kumar, C.S. Chidan, Quah, Ching Kheng (2018) Structural investigation and Hirshfeld surface analysis of three organic picrate salts. Zeitschrift für Kristallographie - Crystalline Materials, 233 (1) 27-34 doi:10.1515/zkri-2017-2082
In(2018, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 233 (1) Walter de Gruyter GmbH
Abstract/NotesAbstractThree picrate salt crystals, namely 5-amino-6-methylquinolin-1-ium 2,4,6-trinitrophenolate (I), 3-phenyl-1H-pyrazol-2-ium 2,4,6-trinitrophenolate (II) and 1H-imidazol-3-ium 2,4,6-trinitrophenolate (III) were characterized by X-ray diffraction. SaltIcrystallizes in space group ofP21/c, witha=15.096(2),b=7.2864(9),c=15.248(2) Å,β=98.437(2)°,V=1659.1 Å3andZ=4. SaltIIcrystallizes in monoclinic space groupP21/c, witha=13.6230(9),b=6.7421(5),c=17.7508(12) Å,β=106.001(1)°,V=1567.20 Å3andZ=4. Whereas saltIIIcrystallizes in triclinic system, space groupP1̅, witha=7.6919(10),b=7.9218(10),c=10.2230(13) Å, α=81.909(2),β=77.985(2), γ=82.629(2)°,V=600.05 Å3andZ=2. Protons were transferred from the picric acids to their corresponding bases, forming intermolecular N+–H···O−hydrogen bonds in the three salts. SaltsIandIIform planes, whereas saltIIIforms chainsviaN–H···O and C–H···O hydrogen bonds as their supramolecular assembly. Planes and chains in all these salts were interconnected through π···π interaction. The intermolecular interactions in the crystal structures were quantified and were analysed using Hirshfeld surface analysis.


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