0000000001301667
AUTHOR
Xin Ding
showing 22 related works from this author
A Novel Halogen Bond Acceptor : 1-(4-Pyridyl)-4-Thiopyridine (PTP) Zwitterion
2020
Sulfur is a widely used halogen bond (XB) acceptor, but only a limited number of neutral XB acceptors with bifurcated sp3-S sites have been reported. In this work a new bidentate XB acceptor, 1-(4-pyridyl)-4-thiopyridine (PTP), which combines sp3-S and sp2-N acceptor sites, is introduced. Three halogen bonded cocrystals were obtained by using 1,4-diiodobenzene (DIB), 1,4-diiodotetrafluorobenzene (DIFB), and iodopentafluorobenzene (IPFB) as XB donors and PTP as acceptor. The structures of the cocrystals showed some XB selectivity between the S and N donors in PTP. However, the limited contribution of XB to the overall molecular packing in these three cocrystals and the results from DSC measu…
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
2017
Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2’-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]⋅I2 with only one NCS⋅⋅⋅I2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 bonding modes. The reason for the observed NCS⋅⋅⋅I2 mode lies most probably in the more favourable packing effects rather than energetic preferences between …
Fine-tuning halogen bonding properties of diiodine through halogen–halogen charge transfer – extended [Ru(2,2′-bipyridine)(CO)2X2]·I2 systems (X = Cl…
2016
The current paper introduces the use of carbonyl containing ruthenium complexes, [Ru(bpy)(CO)2X2] (X = Cl, Br, I), as halogen bond acceptors for a I2 halogen bond donor. In all structures, the metal coordinated halogenido ligand acts as the actual halogen bond acceptor. Diiodine, I2, molecules are connected to the metal complexes through both ends of the molecule forming bridges between the complexes. Due to the charge transfer from Ru–X to I2, formation of the first Ru–X⋯I2 contact tends to generate a negative charge on I2 and redistribute the electron density anisotropically. If the initial Ru–X⋯IA–IB interaction causes a notable change in the electron density of I2, the increased negativ…
Influence of Substituents in the Aromatic Ring on the Strength of Halogen Bonding in Iodobenzene Derivatives
2020
Halogen bonding properties of 3,4,5-triiodobenzoic acid (1, 2), 1,2,3-triiodobenzene (3), pentaiodobenzoic acid ethanol solvate (4), hexaiodobenzene (5a, 5b, 5c), 2,4-diiodoaniline (6), 4-iodoaniline (7), 2-iodoaniline (8), 2-iodophenol (9), 4-iodophenol (10), 3-iodophenol (11) and 2,4,6-triiodophenol (12) has been studied. The results suggested that substituents other than halogen in aromatic ring affect XB properties of iodine substituents in ortho-, meta- and para-positions. The effect depends on the electron-withdrawing/electron-donating properties of the substituent. Thus, electron-withdrawing substituents with negative mesomeric effect favor m-iodines to act as XB donors and o- and p-…
The Se … Hal halogen bonding: Co-crystals of selenoureas with fluorinated organohalides
2021
Abstract Synthesis and structural characterization of binary co-crystals 1–4 is reported in the present paper. Selenourea and 1,1-dimethylselenourea were used as selenium-containing halogen bond (XB) acceptors and iodopentafluorobenzene (IPFB), 1,4-diiodotetrafluorobenzene (1,4-DIFB) and 1,4-dibromotetrafluorobenzene (1,4-DBrFB) as XB donors. A comparative analysis of the similar binary co-crystals of selenourea and thiourea with a halogen donor revealed that Se … Hal halogen bonds are up to 13.12% shorter than the sum of vdW radii, while in case of S … Hal halogen bonds this value is 11.4%. Therefore, selenium tends to form stronger bonds with halogens than sulfur does. Comparisons of XB i…
Extended Assemblies of Ru(bpy)(CO)2X2 (X = Cl, Br, I) Molecules Linked by 1,4-Diiodotetrafluoro-Benzene (DITFB) Halogen Bond Donors
2019
The ruthenium carbonyl compounds, Ru(bpy)(CO)2X2 (X = Cl, Br or I) act as neutral halogen bond (XB) acceptors when co-crystallized with 1,4-diiodotetrafluoro-benzene (DITFB). The halogen bonding strength of the Ru-X&sdot
Influence of substituents in aromatic ring on the strength of halogen bonding in iodobenzene derivatives
2020
Halogen bonding properties of 3,4,5-triiodobenzoic acid (1, 2), 1,2,3-triiodobenzene (3), pentaiodobenzoic acid ethanol solvate (4), hexaiodobenzene (5a, 5b, 5c), 2,4-diiodoaniline (6), 4-iodoaniline (7), 2-iodoaniline (8), 2-iodophenol (9), 4-iodophenol (10), 3-iodophenol (11) and 2,4,6-triiodophenol (12) has been studied. The results suggested that substituents other than halogen in aromatic ring affect XB properties of iodine substituents in ortho-, meta- and para-positions. The effect depends on the electron-withdrawing/electron-donating properties of the substituent. Thus, electron-withdrawing substituents with negative mesomeric effect favor m-iodines to act as XB donors and o- and p-…
CCDC 1009210: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 2011890: Experimental Crystal Structure Determination
2020
Related Article: Maria V. Chernysheva, Margarita Bulatova, Xin Ding, Matti Haukka|2020|Cryst.Growth Des.|20|7197|doi:10.1021/acs.cgd.0c00866
CCDC 1009213: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 1009209: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 1009215: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 2039960: Experimental Crystal Structure Determination
2021
Related Article: Maria V. Chernysheva, J. Mikko Rautiainen, Xin Ding, Matti Haukka|2021|J.Solid State Chem.|295|121930|doi:10.1016/j.jssc.2020.121930
CCDC 1009214: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 2039961: Experimental Crystal Structure Determination
2021
Related Article: Maria V. Chernysheva, J. Mikko Rautiainen, Xin Ding, Matti Haukka|2021|J.Solid State Chem.|295|121930|doi:10.1016/j.jssc.2020.121930
CCDC 1524888: Experimental Crystal Structure Determination
2017
Related Article: Xin Ding, Matti Tuikka, Pipsa Hirva, Matti Haukka|2017|Solid State Sciences|71|8|doi:10.1016/j.solidstatesciences.2017.06.016
CCDC 1009208: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 1009211: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C
CCDC 2039958: Experimental Crystal Structure Determination
2021
Related Article: Maria V. Chernysheva, J. Mikko Rautiainen, Xin Ding, Matti Haukka|2021|J.Solid State Chem.|295|121930|doi:10.1016/j.jssc.2020.121930
CCDC 2011891: Experimental Crystal Structure Determination
2020
Related Article: Maria V. Chernysheva, Margarita Bulatova, Xin Ding, Matti Haukka|2020|Cryst.Growth Des.|20|7197|doi:10.1021/acs.cgd.0c00866
CCDC 2039959: Experimental Crystal Structure Determination
2021
Related Article: Maria V. Chernysheva, J. Mikko Rautiainen, Xin Ding, Matti Haukka|2021|J.Solid State Chem.|295|121930|doi:10.1016/j.jssc.2020.121930
CCDC 1009212: Experimental Crystal Structure Determination
2016
Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C