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
Reference Type | Journal (article/letter/editorial) | ||
---|---|---|---|
Title | Structural investigation and Hirshfeld surface analysis of three organic picrate salts | ||
Journal | Zeitschrift für Kristallographie - Crystalline Materials | ||
Authors | Loh, Wan-Sin | Author | |
Kwong, Huey Chong | Author | ||
Kumar, C.S. Chidan | Author | ||
Quah, Ching Kheng | Author | ||
Year | 2018 (January 26) | Volume | 233 |
Issue | 1 | ||
Publisher | Walter de Gruyter GmbH | ||
DOI | doi:10.1515/zkri-2017-2082Search in ResearchGate | ||
Generate Citation Formats | |||
Mindat Ref. ID | 118061 | Long-form Identifier | mindat:1:5:118061:3 |
GUID | 0 | ||
Full Reference | 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 | ||
Plain Text | 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 | ||
In | (2018, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 233 (1) Walter de Gruyter GmbH | ||
Abstract/Notes | AbstractThree 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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