scholarly journals Synthesis and Crystal Structure of C1-Symmetric 3,3′-Bi(1,1′-dinaphthyl-camphopyrazole)

2016 ◽  
Vol 2016 ◽  
pp. 1-5
Author(s):  
Jannis Barrera ◽  
Victoria A. Smolenski ◽  
Jerry P. Jasinski ◽  
Jesús Pastrán
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Group Form ◽  
C Nmr

The compound 3,3′-bi(1,1′-dinaphthyl-camphopyrazole) 1, C42H42O4, was obtained in good yield and structurally characterized by 1H and 13C NMR spectroscopy, elemental analysis, and X-ray diffraction. It consists of a 3,3′-bipyrazole group with each pyrazole ring containing a fused camphor group and a naphthalene ring bonded to the adjacent nitrogen atom in the ring. Both of the trimethyl, 5-membered rings of the fused camphor group form an envelope with the apex carbon atom as the flap in each case. In the crystal, weak π–π stacking interactions are observed between nearby 6-carbon rings of the two naphthalene rings linking the molecules into extended chains. Weak π–ring intermolecular interactions are also observed between naphthalene atoms and pyrazole rings from each of the groups helping to stabilize the crystal packing. No classical hydrogen interactions are formed.

The first example of the stereoselective synthesis and crystal structure of a spirobicycloquinazolinone based on (–)-fenchone and anthranilamide

2019 ◽  
Vol 75 (12) ◽  
pp. 1675-1680 ◽  
Author(s):  
Vladimir V. Chernyshov ◽  
Yuri V. Gatilov ◽  
Olga I. Yarovaya ◽  
Igor P. Koskin ◽  
Spartak S. Yarovoy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Unit Cell Volume ◽  
Stereoselective Synthesis ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
First Time ◽  
C Nmr

The possibility of a single-stage solvent-free stereoselective synthesis of a spirocyclic compound from the natural bicyclic monoterpenoid (−)-fenchone and anthranilamide has been shown for the first time. The molecular and crystal structure of (1R,2S,4S)-1,3,3-trimethyl-1′H-spiro[bicyclo[2.2.1]heptane-2,2′-quinazolin]-4′(3′H)-one, C17H22N2O, was established by X-ray diffraction though the chirality was assumed via the known reactant connectivity and 1H and 13C NMR spectroscopy. It has shown that in the molecule, for steric reasons, there is an elongation of the Me2C—C(N)N bond to 1.603 (5) Å. The formation of dimers via N—H...O=C hydrogen bonds with an interaction energy of 93.30 kJ mol−1 and through cavities (33.7% of the unit-cell volume) was established in the packing of the molecules. There are no π-stacking interactions in the structure.

Darstellung und Kristallstrukturbestimmung von 1,2-Di-t-butyl-1,2-diiodo- diarsan (t-C4H9AsI)2 und Synthese von 1,2,3,4-Tetrakis(t-butyl)tetraarsetan (t-C4H9As)4 über selektive Reduktion von t-Butylarsendiiodid t-C4H9AsI2 Synthesis and Crystal Structure of 1,2-Di-t-butyl-1,2-diiododiarsane (t-C4H9AsI)2 and Synthesis of 1,2,3,4-Tetrakis(t-butyl)tetraarsetane (t-C4H9As)4 via Selective Reduction of t-Butylarsenic Diiodide t-C4H9AsI2

1997 ◽  
Vol 52 (7) ◽  
pp. 790-794 ◽  
Author(s):  
Klaus Megges ◽  
Evgeni V. Avtomonov ◽  
Jörg Lorberth
Keyword(s):  
Crystal Structure ◽  
Low Temperatures ◽  
Selective Reduction ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Elemental Analyses ◽  
High Yields ◽  
C Nmr

Abstract 1,2,3,4-Tetrakis(t-butyl)tetraarsetane (t-C4H9As)4(4) has been synthesized by reduction of t-butylarsenic (III) diiodide (1) with equivalent quantities of either Mg, Ca, Zn, Li, or CoCp2 in THF at low temperatures in high yields. Treatment of 1 with CoCp2 in a molar ratio 1:1 in n-pentane at -78 °C leads to the formation of 1,2-di-t-butyl-1,2-diiododiarsine (2) (t-C4H9AsI)2 in 69 % yield. The products have been characterized by spectroscopic methods (H, 13C-NMR, EI-MS) and elemental analyses. The crystal structure of 2 has been determined by X-ray diffraction methods.

Notizen: Tetraphenylphosphonium-octabromodiantimonat, (PPh4)2[Sb2Br8]. Synthese und Kristallstruktur / Tetraphenylphosphonium Octabromodiantimonate, (PPh4)2[Sb2Br8]. Synthesis and Crystal Structure

1985 ◽  
Vol 40 (4) ◽  
pp. 562-564 ◽  
Author(s):  
Abdulalah T. Mohammed ◽  
Ulrich Muller
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Raman Spectral Data ◽  
Raman Spectral ◽  
Ir And Raman

(PPh4)2[Sb2Br8] can be prepared from SbBr3 and PPh4Br in CH2Br2 or from Sb2S3, PPh4Br and HBr in 1,2-dichloroethane. Its crystal structure was de­termined with X-ray diffraction data (2764 observed reflexions, R = 0.039). Crystal data: triclinic, space group P1̄, a = 1024.9. b = 1127.1, c = 1282.4 pm, α = 111.80, β = 94.52, γ = 106.92°, Z = 1. The centrosymmetric [Sb2Br8]2- ions consist of two square pyramids sharing a basal edge. The cations are grouped to (PPh4+)2 pairs similarly as in (PPh4)2[As2Cl8]; although the latter compound has a comparable general crystal packing, it is not isotopic. IR and Raman spectral data are reported.

scholarly journals Synthesis and crystal structure of dichlorido(1,10-phenanthroline-κ2N,N′)gold(III) hexafluoridophosphate

2017 ◽  
Vol 73 (7) ◽  
pp. 1048-1051 ◽  
Author(s):  
Raphael Enoque Ferraz de Paiva ◽  
Douglas Hideki Nakahata ◽  
Pedro Paulo Corbi
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Chloride Ions ◽  
Mass Spectrometric ◽  
Spectrometric Analysis ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Square Planar ◽  
Phenanthroline Ligand

A gold(III) salt of composition [AuCl2(C12H8N2)]PF6was prepared and characterized by elemental and mass spectrometric analysis (ESI(+)–QTOF–MS),1H nuclear magnetic resonance measurements and by single-crystal X-ray diffraction. The square-planar coordination sphere of AuIIIcomprises the bidentate 1,10-phenanthroline ligand and two chloride ions, with the AuIIIion only slightly shifted from the least-squares plane of the ligating atoms (r.m.s. = 0.018 Å). In contrast to two other previously reported AuIII-phenantroline structures that are stabilized by interactions involving the chlorido ligands, the packing of the title compound does not present these features. Instead, the hexafluoridophosphate counter-ion gives rise to anion...π interactions that are a crucial factor for the crystal packing.

Synthesis and Crystal Structure of (1E,2E)-1,2-Di (-3-Nitrobenzylidene) Hydrazine under Micromave Irradiation

2013 ◽  
Vol 787 ◽  
pp. 205-207
Author(s):  
Hong Yan Zhou
Keyword(s):  
Crystal Structure ◽  
Microwave Irradiation ◽  
Monoclinic Space Group ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
H Nmr ◽  
The Stability ◽  
High Yields

A compound of (1E,2E)-1,2-di (-3-nitrobenzylidene) hydrazine was synthesized under microwave irradiation (500 w), giving high yields of products (93%). Its structure was determined IR, 1H NMR, MS, elemental analysis and X-ray diffraction. The crystal of the compound is Monoclinic, space group P2(1)/n with a = 6.9611(18), b = 7.823(2), c = 12.999(3) Å, α = 90, β = 105.215(4), γ = 90o, V= 683.1(3) Å3, Z=4, Dc=1.450g/cm3,μ=0.110 mm-1, F(000)=308, R=0.0401 and wR = 0.1131 for 1273 observed reflection with I>2σ (I). π-π stacking interactions contribute to the stability of the structure.

Synthesis, Crystal Structure and Fluorescence Behavior of 2,6- Di(thiophen-2-yl)-benzo[1,2-d:4,5-d´]bisoxazole

2013 ◽  
Vol 68 (3) ◽  
pp. 239-244 ◽  
Author(s):  
Lan-Qin Chai ◽  
Yu-Li Zhang ◽  
Jun-Feng Tong ◽  
Gang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Emission Spectroscopy ◽  
3D Structure ◽  
Monoclinic Space Group ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
C Nmr

An effective and clean new aerobic approach for the synthesis of 2,6-disubstituted benzobisoxazole by using a one-pot reaction of an organic aminoxyl radical as the catalyst is reported. 2,6- Di(thiophen-2-yl)-benzo[1,2-d : 4,5-d´]bisoxazole was synthesized with catalysis by the free radical 4-methoxy-TEMPO and characterized by 1H and 13C NMR spectroscopy, HRMS, as well as by elemental analysis, UV/Vis and emission spectroscopy. The crystal structure of the title compound has been determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c with a=12.531(1), b=3.8960(2), c = 28.733(2) Å, b = 100:760(1)°, Z = 4. Through intermolecular weak C-H· · ·O hydrogen bonding and p-p stacking interactions, a supramolecular 3D structure is formed.

scholarly journals Synthesis and Crystal Structure of 6-Bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Youssef Kandri Rodi ◽  
Santiago V. Luis ◽  
Inés Martí ◽  
Vicente Martí-Centelles ◽  
Younès Ouzidan
Keyword(s):  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Crystal Packing ◽  
Molecular Geometry ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
Primary Focus

The crystal and molecular structure of 6-bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine (C13H8BrN3O) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated intermolecular hydrogen bonding and relatedπ-πinteractions present in the crystal packing. This compound crystallizes in the monoclinic space groupP21/nwith cell parameters:a= 4.39655(19) Å,b= 13.5720(5) Å,c= 20.0471(5) Å,β= 94.753(3),V= 1192.10(7) Å3,D= 1.683 g·cm−3, andZ= 4. The crystal structure is stabilized byπ-πinteractions and intermolecular C–H⋯N and C–H⋯O interactions.

Synthesis and Crystal Structure of Calix[4]arene Derivative Containing 1,3-Diketo Moieties

2019 ◽  
Vol 16 (9) ◽  
pp. 735-739
Author(s):  
Xuemei Xu ◽  
Zaigang Luo ◽  
Chao Ma
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
Cone Conformation ◽  
Synthesis And Crystal Structure ◽  
Arene Derivative ◽  
Oh Groups ◽  
X Ray ◽  
Phenolic Oh Groups

The synthesis of the calix[4]arene derivative containing 1,3-diketo moieties via direct Claisen condensation without protection of the unsubstituted phenolic OH groups is reported. Single crystal X-ray diffraction analysis reveals that the calix unit to be in a cone conformation incorporating two 1,3-diketo subunits disposed in alternate position at the lower rim. And the crystal packing reveals that the overall packing of the complex is staggered anti-parallelly.

Synthesis and Crystal Structure of 13-cis-Retinoate Aryl Derivatives

2011 ◽  
Vol 236-238 ◽  
pp. 3037-3040
Author(s):  
Wei Guo Yi ◽  
Dong Yan ◽  
Long Yong Xie ◽  
Jian Nan Xiang ◽  
Zhong Cao
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Retinoic Acid ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
C Nmr

A series of 13-cis-retinoate aryl derivatives were synthesized from 13-cis-retinoic acid and phenols or arylalcohol with dicyclohexylcarbodiimide (DCC) as reagent and 4-dimethylaminopyridine (DMAP) as catalyst. Their structures were characterized by1H,13C NMR, IR and MS. The crystal of 3a has been determined by single crystal X-ray diffraction analysis and its molecular structure has been confirmed. Compound 3a belongs to monoclinic system with space group P2 (1)/c, a = 22.235 (3) Å, b = 7.4117 (10) Å, c = 15.990 (2) Å, β = 109.253 (3) °, V = 2487.7 (6) Å3, Z = 4, R = 0.0613, ωR = 0.01437.

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

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