scholarly journals Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C21H11F4I2N3

2022 ◽  
Vol 0 (0) ◽  
Author(s):  
Weizhou Wang
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds

Abstract C21H11F4I2N3, orthorhombic, Pnma (no. 62), a = 11.0042(4) Å, b = 20.6209(5) Å, c = 9.2371(3) Å, V = 2096.05(11) Å3, Z = 4, R gt (F) = 0.0316, wR ref (F 2) = 0.0556, T = 293(2) K.

scholarly journals Halogen bonds in the crystal structure of 1,4-diiodotetrafluorobenzene–1,2-bis(4-pyridyl)propane (1/1), C19H14F4I2N2

2018 ◽  
Vol 233 (3) ◽  
pp. 473-475
Author(s):  
Limin Dang ◽  
Saijin Huang ◽  
Aiwu Yin
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds

AbstractC19H14F4I2N2, monoclinic, I2/a (no. 15), a = 20.997(2) Å, b = 4.4785(3) Å, c = 23.242(3) Å, β = 113.532(14)°, V = 2003.8(4) Å3, Z = 8, Rgt(F) = 0.0684, wRref(F2) = 0.0706, T = 287 K.

scholarly journals Noncovalent Interactions between 1,3,5-Trifluoro-2,4,6-triiodobenzene and a Series of 1,10-Phenanthroline Derivatives: A Combined Theoretical and Experimental Study

Crystals ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 140 ◽  
Author(s):  
Yu Zhang ◽  
Jian-Ge Wang ◽  
Weizhou Wang
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Quantum Chemical ◽  
Halogen Bond ◽  
Noncovalent Interactions ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Structural Competition

How many strong C−I⋯N halogen bonds can one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule form in a crystal structure? To answer this question, we investigated in detail the noncovalent interactions between 1,3,5-trifluoro-2,4,6-triiodobenzene and a series of 1,10-phenanthroline derivatives by employing a combined theoretical and experimental method. The results of the quantum chemical calculations and crystallographic experiments clearly show that there is a structural competition between a C−I⋯N halogen bond and π⋯π stacking interaction. For example, when there are much stronger π⋯π stacking interactions between two 1,10-phenanthroline derivative molecules or between two 1,3,5-trifluoro-2,4,6-triiodobenzene molecules in the crystal structures, then one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule forms only one C−I⋯N halogen bond with one 1,10-phenanthroline derivative molecule. Another example is when π⋯π stacking interactions in the crystal structures are not much stronger, one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule can form two C−I⋯N halogen bonds with two 1,10-phenanthroline derivative molecules.

Crystal structure and photoreactivity of a halogen-bonded cocrystal based upon 1,2-diiodoperchlorobenzene and 1,2-bis(pyridin-4-yl)ethylene

2020 ◽  
Vol 76 (6) ◽  
pp. 557-561
Author(s):  
Eric Bosch ◽  
Jessica D. Battle ◽  
Ryan H. Groeneman
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Ultraviolet Light ◽  
Halogen Bond ◽  
Cycloaddition Reaction ◽  
Solvent Free ◽  
Halogen Bonds ◽  
Face To Face ◽  
Similar Yield

The formation of a photoreactive cocrystal based upon 1,2-diiodoperchlorobenzene (1,2-C6I2Cl4 ) and trans-1,2-bis(pyridin-4-yl)ethylene (BPE) has been achieved. The resulting cocrystal, 2(1,2-C6I2Cl4 )·(BPE) or C6Cl4I2·0.5C12H10N2, comprises planar sheets of the components held together by the combination of I...N halogen bonds and halogen–halogen contacts. Notably, the 1,2-C6I2Cl4 molecules π-stack in a homogeneous and face-to-face orientation that results in an infinite column of the halogen-bond donor. As a consequence of this stacking arrangement and I...N halogen bonds, molecules of BPE also stack in this type of pattern. In particular, neighbouring ethylene groups in BPE are found to be parallel and within the accepted distance for a photoreaction. Upon exposure to ultraviolet light, the cocrystal undergoes a solid-state [2 + 2] cycloaddition reaction that produces rctt-tetrakis(pyridin-4-yl)cyclobutane (TPCB) with an overall yield of 89%. A solvent-free approach utilizing dry vortex grinding of the components also resulted in a photoreactive material with a similar yield.

Diastereoselective carbene insertions into platinum-halogen bonds. Crystal structure of [PtCl(R-CHClCO2Et)(R,R-diop)]

1992 ◽  
Vol 11 (11) ◽  
pp. 3879-3885 ◽  
Author(s):  
Paola Bergamini ◽  
Emiliana Costa ◽  
Silvana Sostero ◽  
A. Guy Orpen ◽  
Paul G. Pringle
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds

scholarly journals Halogen bonds and π–π interactions in the crystal structure of 1,3,5-trifluoro-2,4,6-triiodobenzene–N,N-dimethylformamide (1/1), C9H7F3I3NO

2017 ◽  
Vol 232 (6) ◽  
pp. 937-938
Author(s):  
Limin Dang ◽  
Jiangnan Yang ◽  
Hui Liu ◽  
Weizhou Wang
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds ◽  
Π Interactions

AbstractC9H7F3I3NO, monoclinic, P21/n (no. 14), a = 7.5581(4) Å, b = 20.9303(11) Å, c = 9.3548(5) Å, β = 92.208(5)°, V = 1478.78(13) Å3, Z = 4, Rgt(F) = 0.0336, wRref(F2) = 0.0610, T = 290 K.

Nontypical iodine–halogen bonds in the crystal structure of (3E)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-ij]quinolin-4-ium triiodide

2016 ◽  
Vol 72 (4) ◽  
pp. 341-345 ◽  
Author(s):  
E. V. Bartashevich ◽  
V. I. Batalov ◽  
I. D. Yushina ◽  
A. I. Stash ◽  
Y. S. Chen
Keyword(s):  
Crystal Structure ◽  
Rare Case ◽  
Halogen Bond ◽  
Spectroscopic Properties ◽  
Halogen Bonds ◽  
X Ray Diffraction ◽  
Weakly Bound ◽  
X Ray ◽  
Raman Spectroscopic

Two kinds of iodine–iodine halogen bonds are the focus of our attention in the crystal structure of the title salt, C12H8ClINO+·I3−, described by X-ray diffraction. The first kind is a halogen bond, reinforced by charges, between the I atom of the heterocyclic cation and the triiodide anion. The second kind is the rare case of a halogen bond between the terminal atoms of neighbouring triiodide anions. The influence of relatively weakly bound iodine inside an asymmetric triiodide anion on the thermal and Raman spectroscopic properties has been demonstrated.

ChemInform Abstract: First Examples of 1-Benzostannoles with Tin-Halogen Bonds. X-Ray Crystal Structure of 1,1-Bis((bis-trimethylsilyl)amino)-2,3-diethyl-1H- 1-benzostannole.

ChemInform ◽  
2010 ◽  
Vol 26 (12) ◽  
pp. no-no
Author(s):  
A. KANJ ◽  
P. MEUNIER ◽  
B. HANQUET ◽  
B. GAUTHERON ◽  
J. DUBAC ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Halogen Bonds ◽  
X Ray

scholarly journals 2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o393-o394 ◽  
Author(s):  
Niklas Koch ◽  
Wilhelm Seichter ◽  
Monika Mazik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Molecular Conformation ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Cross Linking ◽  
Halogen Bonds ◽  
Receptor Molecule ◽  
Compound C ◽  
Intermolecular Bonding

In the title compound, C36H24Br3N3O6·C7H8, the toluene solvent molecule is associated with the receptor moleculeviaC—H...π bonding. The planes of the phthalimido groups are inclined at 77.0 (1), 63.0 (1) and 77.8 (1)° with respect to the benzene ring. The molecular conformation is stabilized by C—H...O and C—H...Br hydrogen bonds. The crystal structure features non-classical hydrogen bonds of the C—H...N, C—H...O and C—H...Br type, leading to a three-dimensional cross-linking of molecules. The pattern of non-covalent intermolecular bonding is completed by O...Br halogen bonds [3.306 (3) Å], which link the receptor molecules into infinite strands extending along thea-axis direction.

scholarly journals Crystal structure of 4,4-dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile

2016 ◽  
Vol 72 (8) ◽  
pp. 1167-1170 ◽  
Author(s):  
Marwa Chaabene ◽  
Abderrahim Khatyr ◽  
Michael Knorr ◽  
Moheddine Askri ◽  
Yoann Rousselin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Chemistry ◽  
Three Dimensional ◽  
Halogen Bonds ◽  
Organic Transformations ◽  
One Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
The Family ◽  
Potential Ligand

The title compound, C12H10Br2N2O2, represents an example of a planar π-conjugated 2-azabutadiene molecule, which is both an interesting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric molecular parameters are typical for the family of 2-azabuta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658 Å) azadiene molecules form one-dimensional double-wide ribbons through intermolecular halogen bonds (C—Br...O and C—Br...Br—C), which then stack in a slipped manner through weak C—H...Br and π–π interactions to generate a three-dimensional network.

scholarly journals Crystal structure of 5-chloro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2015 ◽  
Vol 71 (8) ◽  
pp. o621-o622
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Halogen Bonds ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10ClFO2S, the dihedral angle between the mean planes of the benzofuran ring [r.m.s. deviation = 0.007 (1) Å] and the 2-fluorophenyl ring is 32.53 (5)°. In the crystal, molecules related by inversion are paired into dimersviatwo different C—H...O hydrogen bonds. Further, Cl...O halogen bonds [3.114 (1) Å], and F...π [F-to-furan-centroid distance = 3.109 (1) Å] and S...F [3.1984 (9) Å] interactions link these into a three-dimensional network.

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