Synthesis and Crystal Structure of 4,7-bis (2-thienylethynyl)-2,1,3-benzothiadiazole

2002 ◽  
Vol 2002 (10) ◽  
pp. 511-513 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Kakuya Saito ◽  
Mikio Ouchi ◽  
Akio Yoneda ◽  
Yoshiro Yamashita
Keyword(s):  
Crystal Structure ◽  
Thiophene Ring ◽  
The Other ◽  
Sonogashira Coupling ◽  
Synthesis And Crystal Structure

4,7-Bis(2-thienylethynyl)-2,1,3-benzothiadiazole was prepared by Sonogashira coupling. The crystal structure showed that one thiophene ring is coplanar and the other is perpendicular to the benzothiadiazole ring.

scholarly journals Synthesis and crystal structure of (E)-1,2-bis[2-(methylsulfanyl)phenyl]diazene

2019 ◽  
Vol 75 (11) ◽  
pp. 1808-1811
Author(s):  
Jonas Hoffmann ◽  
Thomas J. Kuczmera ◽  
Enno Lork ◽  
Anne Staubitz
Keyword(s):  
Crystal Structure ◽  
Dimethyl Disulfide ◽  
Hirshfeld Surface ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
Azo Group ◽  
Subsequent Quenching

The title compound, C14H14N2S2, was obtained by transmetallation of 2,2′-bis(trimethylstannyl)azobenzene with methyl lithium, and subsequent quenching with dimethyl disulfide. The asymmetric unit comprises two half-molecules, the other halves being completed by inversion symmetry at the midpoint of the azo group. The two molecules show only slight differences with respect to N=N, S—N and aromatic C=C bonds or angles. Hirshfeld surface analysis reveals that except for one weak H...S interaction, intermolecular interactions are dominated by van der Waals forces only.

Formamidinhim-Hexachloroferrat(III) Synthese und Kristallstruktur / Formamidinium-Hexachloroferrate(III) Synthesis and Crystal Structure

1985 ◽  
Vol 40 (3) ◽  
pp. 443-446 ◽  
Author(s):  
Udo Demant ◽  
Elke Conradi ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
The Other ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Positional Disorder ◽  
Lattice Constants ◽  
Bond Lengths

[HC(NH2)2]3FeCl6 was obtained together with other products from the reaction of S4N4 with HCl in H2CCl2 in the presence of FeCl3. Its crystal structure was determined from X-ray diffraction data (473 independent observed reflexions, R = 0.047). Lattice constants: a = 961.6, c = 876.4 pm; tetragonal, space group P42/m, Z = 2. Of the two crystallographically independent formamidinium ions HC(NH2)2⊕, one exhibits positional disorder; the other one has C-N bond lengths of 128 pm. The FeCl63⊖ ions have symmetry C2h, but the deviation from Oh is small.

scholarly journals Synthesis and crystal structure of (±)-Goniotamirenone C

2020 ◽  
Vol 76 (11) ◽  
pp. 1728-1731
Author(s):  
Pornphimol Meesakul ◽  
Christopher Richardson ◽  
Surat Laphookhieo ◽  
Stephen G. Pyne
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Natural Product ◽  
The Other ◽  
Independent Molecule ◽  
Synthesis And Crystal Structure ◽  
Previous Assignment ◽  
Independent Molecules ◽  
Hydrogen Bonded

The structure of the racemic version of the natural product Goniotamirenone C [racemic anti-6-(2-chloro-1-hydroxy-2-phenylethyl)-2H-pyran-2-one, C13H11ClO3] at 150 K is reported. The compound crystallizes with monoclinic (P21/n) symmetry and with Z′ = 2. One independent molecule is ordered while the other independent molecule exhibits an interesting whole-molecule enantiomeric disorder with occupancies of 0.846 (4) and 0.154 (4). The independent molecules are hydrogen bonded with –OH...O=C linkages into chains that run parallel to the a axis. This structural analysis corrects our previous assignment as the syn isomer [Meesakul et al. (2020). Phytochemistry, 171, 112248–112255].

scholarly journals Synthesis and crystal structure of [Zn6Br4(C9H18NO)4(OH)4]·2C3H6O2

2020 ◽  
Vol 76 (7) ◽  
pp. 998-1002
Author(s):  
Rebecca Scheel ◽  
Lukas Brieger ◽  
Kathrin Louven ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solvent Molecule ◽  
Hirshfeld Surface ◽  
Title Complex ◽  
The Other ◽  
Tetrahedral Coordination ◽  
Synthesis And Crystal Structure ◽  
Alkoxide Ligands

The complete molecule of the hexametallic title complex, namely, tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate, [Zn6Br4(C9H18NO)4(OH)4]·2C3H6O2, is generated by a crystallographic centre of symmetry. Two of the unique zinc atoms adopt distorted ZnO2NBr tetrahedral coordination geometries and the other adopts a ZnO3N tetrahedral arrangement. Both unique alkoxide ligands are N,O-chelating and both hydroxide ions are μ2 bridging. The crystal structure displays an O—H...O hydrogen bond between a μ2-OH group and an acetone solvent molecule. The Hirshfeld surface has been calculated and is described.

scholarly journals The crystal structure of (C2H9N2)2[Zn3(HPO3)4], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation

2017 ◽  
Vol 73 (5) ◽  
pp. 759-762 ◽  
Author(s):  
Judita Katinaitė ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Reciprocal Space ◽  
The Other ◽  
Organic Cations ◽  
Zinc Ions ◽  
Synthesis And Crystal Structure ◽  
Hydrazinium Cation

The solution-mediated synthesis and crystal structure of 1,1-dimethylhydrazinium tetraphoshonoatotrizincate, (C2H9N2)2[Zn3(HPO3)4], are described. The anionic [Zn3(HPO3)4]2−framework is built up from alternating ZnO4tetrahedra and HPO3pseudo-pyramids to generate a three-dimensional 4,3-net encapsulating the C2H9N2+cations. The organic cations, which are protonated at their central N atoms, occupy pores delineated by large 16-membered polyhedral rings and interact with the framework by way of N—H...O hydrogen bonds and possible C—H...O interactions. One of the zinc ions lies on a crystallographic twofold rotation axis and all the other atoms lie on general positions. The crystal studied was found to be rotationally twinned about the [001] axis in reciprocal space in a 0.585 (5):0.415 (5) ratio.

Synthese und Kristallstruktur von (PPh4)4[Cu2Se14] / Synthesis and Crystal Structure of (PPh4)4[Cu2Se14]

1990 ◽  
Vol 45 (8) ◽  
pp. 1128-1132 ◽  
Author(s):  
Ulrich Müller ◽  
My-Linh Ha-Eierdanz ◽  
Gertrud Kräuter ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Structure Determination ◽  
The Other ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

(PPh4)4[Cu2Se14] has been prepared by the reaction of a lithium polyselenide solution in DMF with CuCl at 120 °C in the presence of PPh4Br. The compound forms black crystals, which were characterized by IR spectroscopy as well as by an X-ray structure determination. Space group P 21, Z = 2, 2690 observed unique reflexions, R = 0.095. Lattice dimensions at 19 °C: a = 2139.5(9), b = 1611.7(3), c = 1365.1(3) pm, β = 93.54(3)°. The compound consists of PPh4+ and [Cu2Se14]4- ions, in which the two copper atoms are bridged by an Se52- chain. One of the Cu atoms is a member of a CuSe4 ring, the other one of a CuSe5 ring; the coordination at each Cu atom is trigonal-planar.

scholarly journals Chemo- and regioselective [3 + 2]-cycloadditions of thiocarbonyl ylides: crystal structures of trans-8-benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one and trans-3-benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene

2018 ◽  
Vol 74 (12) ◽  
pp. 1705-1709
Author(s):  
Anthony Linden ◽  
Grzegorz Mlostoń ◽  
Paulina Grzelak ◽  
Heinz Heimgartner
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Thiophene Ring ◽  
Molecular Structures ◽  
The Other ◽  
Bond Lengths ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Cyclobutane Ring

The title compounds, C19H21F3O2S and C24H19F3OS, were prepared via chemo- and regioselective [3 + 2]-cycloadditions of the respective thiocarbonyl ylides (thiocarbonyl S-methanides), generated in situ, with (E)-4,4,4-trifluoro-1-phenylbut-2-en-1-one. The thiophene ring in the crystal structure of each compound has an envelope conformation. The largest differences between the two molecular structures is in the bond lengths about the quaternary C atom of the thiophene ring; in the spirocyclic structure, the C—C bonds to the spiro C atom in the cyclobutane ring are around 1.60 Å, although this is also observed in related structures. In the same structure, weak intermolecular C—H...X (X = S, O) interactions link the molecules into extended ribbons running parallel to the [001] direction. In the other structure, weak C—H...π interactions link the molecules into sheets parallel to the (010) plane.

Synthese und Kristallstruktur von (Cu,Zn)3,75Mo3O12 / Synthesis and Crystal Structure of (Cu,Zn)3,75Mo3O12

1995 ◽  
Vol 50 (2) ◽  
pp. 247-251 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Single Crystals ◽  
The Other ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Occupancy Factor ◽  
X Ray ◽  
Group D ◽  
Oxygen Atoms

Single crystals of (Cu,Zn)3,75Mo3O12 have been prepared by crystallization from melts and investigated by X-ray diffractometer techniques. (Cu,Zn)3,75Mo3O12 crystallizes orthorhombically, space group D24-P212121, Z = 4, a = 17.947(9), b = 5.092(3), c = 10.685(5) Å. It is isotypic to Cu3,85Mo3O12. All molybdenum atoms are tetrahedrally coordinated by oxygen atoms. There are layers of CuO6 and ZnO6 octahedra, while other metal sites are occupied by copper in a deformed prismatic coordination with one oxygen atom at a remarkably greater distance from copper than the other five. Some of the zinc atoms occupy positions in chains of face-sharing octahedra with an occupancy factor of 0.75. The crystal structure is discussed with respect to the isotypic compound Cu3,85Mo3O12 and compounds of the type CuLnMo2O8.

scholarly journals Synthesis and crystal structure of a disubstituted nickel(II) bis[(dimethylaminophenylimino)ethyl]pyridine chloride complex

2017 ◽  
Vol 73 (8) ◽  
pp. 1167-1171 ◽  
Author(s):  
Morgan Matthews ◽  
Madison Sendzik ◽  
Adrienne Bruggeman ◽  
Claire Kearns ◽  
Allen G. Oliver ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Pyridine Ring ◽  
Phenyl Group ◽  
Chloride Complex ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Synthesis And Crystal Structure ◽  
Solvent Molecules ◽  
Hydrogen Bonded

The solvated title compound, bis[2,6-bis(1-{[4-(dimethylamino)phenyl]imino-κN}ethyl)pyridine-κN]nickel(II) dichloride–dichloromethane–water (1/2/2), [Ni(C25H29N5)2]Cl2·2CH2Cl2·2H2O, represents a nickel(II) bis(pyridine diimine) complex with electron-donating dimethylaminophenyl substituents. The complex crystallizes as a water/dichloromethane solvate with Z′ = 2, thus the asymmetric unit consists of two NiII complex cations, four chloride anions, four adventitious water and four dichloromethane solvent molecules. Around each octahedrally coordinated NiII cation, one pendant phenyl group on each of the two ligands has an intramolecular π–π interaction with the pyridine ring of the other chelating ligand. In the crystal, pairs of water molecules are hydrogen bonded to pairs of chlorine atoms. The dichloromethane solvent molecules are likewise hydrogen bonded to the chloride anions.

scholarly journals Synthesis and Crystal Structure of Hg2V8O20 – the First Ternary Mercury Vanadate with Mixed-valent Vanadium (IV/V)

2007 ◽  
Vol 62 (11) ◽  
pp. 1390-1396 ◽  
Author(s):  
Matthias Weil ◽  
Berthold Stöger ◽  
Annemarie L. Wessels ◽  
Wolfgang Jeitschko
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
Vanadium Oxides ◽  
Near Neighbor ◽  
The Other ◽  
Intermediate Valence ◽  
Oxidation Number ◽  
Coordination Polyhedra ◽  
Variable Parameters ◽  
Synthesis And Crystal Structure

Black needle-shaped single crystals of Hg2V8O20 were obtained by heating amorphous precipitates resulting from mixing aqueous solutions of HgNO3OH and NH4VO3 (Hg :V ratios between 1 : 2.0 and 1 : 2.5) in evacuated silica ampoules at 450 °C for two weeks. Their crystal structure was determined from single crystal diffractometer data [C2/m, Z = 2, a = 22.375(1), b = 3.6312(2), c = 9.6113(4) Å, β = 91.708(5)°, R[F2 ≥ 2σ (F2)] = 0.0681, 807 F2 values, 61 variable parameters]. Two of the four independent vanadium atoms are surrounded by six close oxygen atoms whereas the other two have five oxygen neighbors. These coordination polyhedra share edges and corners resulting in puckered layers with an overall composition [V4O10]− extending parallel to (100). The layers are linked by Hg22+ dumbbells (d(Hg-Hg) = 2.510(2) Å) with a short Hg-O distance of 2.13(2) Å(∠(O9−Hg-Hg) = 173.8(5)°). Although Hg2V8O20 crystallizes in a new structure type, it resembles the structures of other layered vanadium oxides with open frameworks and can be classified as being of the Q-UD-type. The near-neighbor environments of the four vanadium positions of this reduced vanadate with an average oxidation number of +4.75 of the vanadium atoms are similar with respect to V-V bonding and it is suggested that the vanadium atoms have delocalized V-V bonding with intermediate valence.

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