0000000001301489
AUTHOR
Hans-georg Stammler
Molecules Forced to Interact: Benzene and Pentafluoroiodobenzene
The in situ low-temperature (co)crystallization of liquids and gases, followed by a detailed structural study, represents an approach to engineer and discover novel materials that are not formed under ambient conditions. Single-crystal X-ray diffraction revealed dimorphism along with a hierarchy of particular interactions in pentafluoroiodobenzene, C6F5I(1), and its benzene cocrystal (C6F5I)(2)center dot C6H6 (2). There are four polymorphs, two of 1, 1-I and 1-II, and two of 2, 2-I and 2-II, and they all are principally dominated by I center dot center dot center dot F and F center dot center dot center dot F halogen interactions. The nature and the contribution of different interactions we…
Very close I⋯As and I⋯Sb interactions in trimethylpnictogen-pentafluoroiodobenzene cocrystals
The cocrystals (CH3)3As·C6F5I (1) and (CH3)3Sb·C6F5I (2) were generated in situ from equimolar mixtures of their components. 1 and 2 show very close I⋯As and I⋯Sb directional intermolecular interactions. They are 0.5 and 0.7 Å shorter than the sums of van der Waals radii, respectively, and are the shortest C–I⋯As and C–I⋯Sb halogen bonds of this type found for experimentally characterized molecular (co)crystals. Comparisons of the packing motifs and contacts in 1 and 2 with those in (CH3)3As (3), (CH3)3Sb (4) and C6F5I (5) illustrate the occurrence and hierarchy of the specific interactions. The heteromolecular components in 1 and 2 are assembled by I⋯As, I⋯Sb and F⋯H interactions. There ar…
The nature of interactions of benzene with CF3I and CF3CH2I
In situ grown crystals of CF3I and CF3CH2I are dominated by I⋯I and F⋯F interactions. Their co-crystals with benzene, (CF3I)2·C6H6 and CF3CH2I·C6H6, contain two completely different sets of intermolecular interactions. (CF3I)2·C6H6 shows a unique halogen-bond type: above-the-bond C–I⋯πC6H6 interactions. CF3CH2I·C6H6 shows above-the-centre C–H⋯πC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.
CCDC 1873287: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 1873286: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 1978041: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071
CCDC 1873285: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 1873283: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 1978040: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071
CCDC 2057065: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057068: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057063: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057066: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057072: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 1873282: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 2057074: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057071: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057076: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 1978039: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071
CCDC 2057069: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057075: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 1873284: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Sebastian Blomeyer, Norbert W. Mitzel|2019|Chem.Commun.|55|175|doi:10.1039/C8CC08980A
CCDC 1978038: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071
CCDC 1978037: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071
CCDC 2057067: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057073: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057070: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 2057064: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Yury V. Vishnevskiy, Norbert W. Mitzel|2022|CrystEngComm|24|70|doi:10.1039/D1CE01268A
CCDC 1978036: Experimental Crystal Structure Determination
Related Article: Maciej Bujak, Hans-Georg Stammler, Norbert W. Mitzel|2020|Cryst.Growth Des.|20|3217|doi:10.1021/acs.cgd.0c00071