scholarly journals 1,12-Diiodo-Ortho-Carborane: A Classic Textbook Example of the Dihalogen Bond

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 396
Author(s):  
Kyrill Suponitsky ◽  
Alexei Anisimov ◽  
Sergey Anufriev ◽  
Igor Sivaev ◽  
Vladimir Bregadze
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Single Crystal ◽  
Boron Atom ◽  
Iodine Atom ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Classical Parameters

The crystal structure of 1,12-diiodo-ortho-carborane 1,12-I2-1,2-C2B10H10 was determined by single crystal X-ray diffraction. In contrary to earlier studied 1,12-dibromo analogue 1,12-Br2-1,2- C2B10H10, its crystal packing is governed by the presence of the intermolecular I···I dihalogen bonds between the iodine atom attached to the carbon atom (acceptor) and the iodine atom attached to the antipodal boron atom (donor) of the carborane cage. The observed dihalogen bonds belong to the II type and are characterized by classical parameters: shortened I⋯I distance of 3.5687(9) Å, C–I⋯I angle of 172.61(11)° and B–I⋯I angle of 92.98(12)°.

Study on Novel Structure of Praseodymium Complex, C5H13O11Pr

2013 ◽  
Vol 834-836 ◽  
pp. 515-518
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Ting Ting Huang ◽  
Yang Xu ◽  
Lin Tong Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure ◽  
Praseodymium Complex

A novel praseodymium complex C5H13O11Pr has been synthesized from hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Pr1 atom is nine coordinated by nine O atoms. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

scholarly journals Synthesis, Crystal Structure, and DFT Calculations of 1,3-Diisobutyl Thiourea

2015 ◽  
Vol 2015 ◽  
pp. 1-5 ◽  
Author(s):  
Ataf A. Altaf ◽  
Adnan Shahzad ◽  
Zarif Gul ◽  
Sher A. Khan ◽  
Amin Badshah ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Single Crystal ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Model Support

1,3-Diisobutyl thiourea was synthesized and characterized by single crystal X-ray diffraction. It gives a monoclinic (α=γ= 90 andβ  ≠90) structure with the space group P21/c. The unit cell dimensions area= 11.5131 (4) Å,b= 9.2355 (3) Å,c= 11.3093 (5) Å,α= 90°,β= 99.569° (2),γ= 90°,V= 1185.78 (8) Å3, andZ= 4. The crystal packing is stabilized by intermolecular (N–H⋯S) hydrogen bonding in the molecules. The optimized geometry and Mullikan's charges of the said molecule calculated with the help of DFT using B3LYP-6-311G model support the crystal structure.

Crystal structure of methyl 8-Iodo-4,5,7-trimethoxy-2-naphthoate

1977 ◽  
Vol 30 (10) ◽  
pp. 2313 ◽  
Author(s):  
DW Cameron ◽  
GI Feutrill ◽  
vB Lammerts ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Crystal Packing ◽  
Molecular Geometry ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound, C15H15IO5, has been determined by single crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.04 (2210 ?observed? reflections). Crystals are monoclinic, P21/c, a 10.294(5), b 18.868(9), c 7.549(6) Ǻ, β 90.29(5)�, Z 4. The molecular geometry apart from the iodine environment is as expected; the crystal packing is such that the iodine lies close to a symmetry-related neighbour at I...I 4.148(2) Ǻ and may account for the observed facile elimination of iodine from the solid on heating to 120�C.

Crystal structure of dunnione p-bromophenylhydrazone

1980 ◽  
Vol 33 (2) ◽  
pp. 441 ◽  
Author(s):  
RG Cooke ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Single Crystal ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intermolecular Charge Transfer

The crystal structure of dunnione p-bromophenylhydrazone has been determined by single-crystal X-ray diffraction methods at 295 K, the structure being refined to a residual of 0.054 for 1429 'observed' reflections. Crystals are triclinic, Pī, a 15.620(8), b 8.804(4), c 7.439(4) Ǻ, α 68.03(4), β 89.85(4), γ 77.44(4)°, Z 2. The conjugation throughout the molecule is extensive and the crystal packing is dominated by intermolecular charge-transfer interactions. Bonding in the hydrazone moiety lies intermediate between those expected for hydrazone and azo forms.

scholarly journals Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O

2016 ◽  
Vol 231 (1) ◽  
pp. 89-91
Author(s):  
Chunhua Ge ◽  
Juanjuan Liu ◽  
Zhe Xü ◽  
Yang Zhang ◽  
Xiangdong Zhang
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Carbon Atom ◽  
Boron Atom ◽  
Crystal Structure Analysis ◽  
Coordination Bond ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Phenol Water

AbstractThe title compound has been synthesized and characterized by IR, 1H NMR, elemental analysis as well as single crystal X-ray diffraction techniques. Crystal structure analysis reveals that the boron atom is tetrahedrally bonding with one carbon atom, one nitrogen atom, and two oxygen atoms. The bond between nitrogen atom and boron atom is a coordination bond.

scholarly journals Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN 1)dichloridocobalt(II)

2017 ◽  
Vol 73 (5) ◽  
pp. 399-406 ◽  
Author(s):  
Olga Carolina Sanchez Montilva ◽  
Federico Movilla ◽  
Maricel Gabriela Rodriguez ◽  
Florencia Di Salvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Structures And Properties ◽  
Statistical Studies

Despite the large number of reported crystalline structures of coordination complexes bearing pyridines as ligands, the relevance of π–π interactions among these hereroaromatic systems in the stabilization of their supramolecular structures and properties is not very well documented in the recent literature. The title compound, [CoCl2(C5H6N2)2], was obtained as bright-blue crystals suitable for single-crystal X-ray diffraction analysis from the reaction of 4-aminopyridine with cobalt(II) chloride in ethanol. The new complex was fully characterized by a variety of spectroscopic techniques and single-crystal X-ray diffraction. The crystal structure showed a tetrahedral complex stabilized mainly by bidimensional motifs constructed by π–π interactions with large horizontal displacements between the 4-aminopyridine units, and N—H...Cl hydrogen bonds. Other short contacts, such as C—H...Cl interactions, complete the three-dimensional arrangement. The supramolecular investigation was extended by statistical studies using the Cambridge Structural Database and a Hirshfeld surface analysis.

Study on a Structure of 2,6-Pyridine Dicarboxylic Acid Gallium, (NH4)Ga(C7H3NO4)2

2013 ◽  
Vol 470 ◽  
pp. 3-6
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Xiao Ri Sun ◽  
Lin Tong Wang ◽  
Yun Chen Zhang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Pyridine Dicarboxylic Acid ◽  
Solution Reaction

A novel Ga complex (NH4)Ga(C7H3NO4)2 has been synthesized from a solution reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Ga atom is six-coordinated by two N atoms and four O atoms from two 2,6-pyridine dicarboxylic acid anions. The crystal packing is stabilized by O-H...N hydrogen bonding interactions.

Crystal Structure of bi(1,10-phenanthroline)- copper-Cl chlorine hydrate, [CuCl(C12H8N2)2]Cl0.5(H2O)5.5

2013 ◽  
Vol 634-638 ◽  
pp. 3201-3204
Author(s):  
Hai Xing Liu ◽  
Huan Mei Guo ◽  
Guang Zeng ◽  
Qing Hua Zhang ◽  
Zhang Xue Yu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Metal Complex ◽  
Single Crystal ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solution Reaction

A novel Cu metal complex [CuCl(C12H8N2)2]Cl 0.5(H2O)5.5 has been synthesized from a solution reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. [CuCl(C12H8N2)2]Cl 0.5(H2O)5.5, Monoclinic, C2/c. a=23.086(2)Å, b =30.090(3)Å, c=7.4580(8)Å, α=γ=90, β=97.67, V=5134.3Å3, Z=8, R1 =0.0923, wR2 =0.2182, T=298K. The crystal packing is stabilized by O-H...O and O-H...Cl hydrogen bonding and Л-Л interactions.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

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