A novel tetraphenylethylene derivative: 4-methyl-N-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission

2019 ◽  
Vol 75 (8) ◽  
pp. 1060-1064
Author(s):  
Lei Jia ◽  
Jun Zhang ◽  
Lin Du
Keyword(s):  
Three Dimensional ◽  
Intermolecular Forces ◽  
Monoclinic Space Group ◽  
The Novel ◽  
X Ray Diffraction ◽  
Aggregation State ◽  
Aggregation Induced Emission ◽  
H Nmr ◽  
Dimensional Network ◽  
Intramolecular Motions

The novel tetraphenylethylene derivative 4-methyl-N-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide (abbreviated as MTBF), C33H27NO2S, was synthesized successfully and characterized by single-crystal X-ray diffraction, high-resolution mass spectroscopy and 1H NMR spectroscopy. MTBF crystallizes in the centrosymmetric monoclinic space group P21/c. In the crystal structure, the MTBF molecules are connected into a one-dimensional band and then a two-dimensional sheet by hydrogen bonds of the N—H...O and C—H...O types. The sheets are further linked to produce a three-dimensional network via C—H...π interactions. The molecules aggregate via these intermolecular forces, which restrain the intramolecular motions (RIM) and decrease the energy loss in the aggregation state, so as to open the radiative channels, and thus MTBF exhibits excellent fluorescence by aggregation-induced emission (AIE) enhancement.

scholarly journals A New 3D Coordination Polymer of Bismuth with Nicotinic AcidN-Oxide

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Farzin Marandi ◽  
Ingo Pantenburg ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Thermal Stability Of

The new three-dimensional coordination polymer {[Bi(NNO)2(NO3)]·1.5H2O}n(1, NNO−= nicotinateN-oxide) was synthesized and characterized by elemental analysis, IR and1H-NMR spectroscopy, as well as single-crystal X-ray diffraction analysis.1crystallizes in the monoclinic space group C2/c. The crystal structure consists of a rectangular-shaped grid constructed with NNO linkers. Cavities of a diameter of 7.9–8.3 Å2are filled with disordered water molecules. The thermal stability of the compound was evaluated by thermogravimetric analysis.

Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)

2018 ◽  
Vol 74 (8) ◽  
pp. 981-985
Author(s):  
Flávia H. Silva ◽  
Chris H. J. Franco ◽  
Charlane C. Corrêa ◽  
Renata Diniz
Keyword(s):  
Crystal Structure ◽  
Topological Analysis ◽  
Three Dimensional ◽  
Strong Interactions ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Rigidity ◽  
Dimensional Network ◽  
Point Symbol

Aromatic polycarboxylate linkers provide structural rigidity and strong interactions among the metal centre and the carboxylate O atoms. A new three-dimensional coordination polymer namely, catena-poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]], {K[Zn(C8H3O7S)(H2O)4]} n or {K[Zn(SIP)(H2O)4]} n , where SIP is 5-sulfobenzene-1,3-dicarboxylate or 5-sulfoisophthalate, was obtained and characterized by elemental analysis and IR vibrational spectroscopy, and the single-crystal structure was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/n with Z = 4. Topological analysis revealed that K—O interactions form a two-dimensional network, which is uninodal 4-connected and can be described with a point symbol (44.62), and this plane network is classified as sql/Shubnikov. The layers are connected by Zn2+ ions coordinated to the SIP linker, forming a three-dimensional network. This net is a trinodal (3,5,6)-connected system with point symbol (3.44.52.62.73.83).(3.44.52.62.7).(3.72).

Polysulfonylamine Polysulfonylamine, CXXXVIII [1], 1.1-Di(organosu!fonyl)-3,3-diorganylharnstoffe: Synthese von acht Vertretern und Kristallstruktur des Prototyps (MeSO2)2N-C(O)-NMe2 / Polysulfonylamines, CXXXVIII [1]. 1.1-Di(organosulfonyl)-3,3-diorganylureas: Synthesis of Eight Representatives and Crystal Structure of the Prototype (MeSO2)2N-C(O)-NMe2

2001 ◽  
Vol 56 (7) ◽  
pp. 680-688 ◽  
Author(s):  
Jörg Dalluhn ◽  
Hans-Heinrich Pröhl ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Acetonitrile Solution ◽  
X Ray Diffraction ◽  
Dimethylamino Group ◽  
Triclinic Space Group ◽  
H Nmr ◽  
Dimensional Network ◽  
Electrophilic Activation ◽  
High Degree

Eight compounds of the type (RSO2)2N-C(O)-NR'2 , where R = Me or 4-tolyl and R' = Me, Et, iPr or Ph, were obtained in good yields by treating the corresponding carbamoyl chlorides R'2NC(0)C1 with silver salts AgN (SO2R)2 in acetonitrile solution. The pronounced sensitivity of the compounds towards atmospheric moisture is indicative of a high degree of electrophilic activation at the carbonyl centre; bulk hydrolysis rapidly leads to carbon dioxide and the corresponding ammonium salt R'2NH+2'N (SO2R)2. In the 1H and 13C NMR solution spectra, the R4N groups of the ureas give rise to distinct R' resonances at room temperature, reflecting unusually high barriers to rotation about the C(O)-NR'2 bonds. For ( MeSO2)2N-C(O)-NMe2 (1a) and the analogous ditosyl compound, the 1H NMR signals of the dimethylamino group were found to coalesce at 107 °C and 93 °C, respectively, which corresponds to a rotational barrier of ⊿G#c ≈ 80 kJ mol-1. In the crystal of la (triclinic, space group P1̄, Z = 2; X-ray diffraction at -75 °C), the molecule possesses an essentially planar Me2N-C(O)-N moiety (except H atoms), whereas the C-NS2 grouping is pyramidalized to such an extent that N lies 27.8(2) pm out of the plane defined by the carbonyl C atom and the two sulfonyl S atoms [S-N-S 120.52(11)°, C-N-S 115.73(14) and 115.06(14)°]. The most remarkable features of the molecular structure are the exceedingly long C(O)-NS2 bond [148.6(3) pm] and the concomitantly short C-O and C(O)-NC2 bonds [121.4(3) and 132.2(3) pm]. The crystal packing of la is governed by a three-dimensional network of nine intermolecular C-H···O hydrogen bonds originating from the activated M e-S and M e -N donor groups (H···O 230-266 pm, C-H···O 123-173°).

Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer

2017 ◽  
Vol 73 (6) ◽  
pp. 464-469 ◽  
Author(s):  
Juan Liu ◽  
Yang-Rong Xu ◽  
Xing-Si An ◽  
Gui-Ge Hou ◽  
Qing-Guo Meng
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Crystal Packings ◽  
C Nmr

In order to study the in vivo protective effect on myocardial ischemia, (20S,24R)-epoxydammarane-12β,25-diol, (V), and (20S,24S)-epoxydammarane-12β,25-diol, (VI), were synthesized through a novel synthetic route. Two key intermediates, namely (20S,24R)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, (III) [obtained as the hemihydrate, C32H54O5·0.5H2O, (IIIa), and the ethanol hemisolvate, C32H54O5·0.5C2H5OH, (IIIb), with identical conformations but different crystal packings], and (20S,24S)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, C32H54O5, (IV), were obtained during the synthesis. The structures were confirmed by 1H NMR, 13C NMR and HRMS analyses, and single-crystal X-ray diffraction. Molecules of (IIIa) are extended into a two-dimensional network constructed with water molecules linked alternately through intermolecular O—H...O hydrogen bonds, which are further stacked into a three-dimensional network. Compound (IIIb) contains two completely asymmetric molecules, which are linked in a disordered manner through intermolecular C—H...O hydrogen bonds. While the crystal stacks in compound (IV) are linked via weak C—H...O hydrogen bonds, the hydrogen-bonded chains extend helically along the crystallographic b axis.

scholarly journals Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound

2017 ◽  
Vol 73 (9) ◽  
pp. 1271-1274 ◽  
Author(s):  
Sayed Riyadh ◽  
David L. Hughes ◽  
Musa A Said
Keyword(s):  
Crystal Structure ◽  
Tautomeric Form ◽  
Mixed Solvents ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Azide Group ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Solvent Molecules

The title compound, [(1-{4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea, 1,1,2,2-tetrachloroethane monosolvate, C15H15N5O2S·C2H2Cl4, was prepared from 4-(4-acetylphenyldiazendiyl)resorcinol and thiosemicarbazide and recrystallized from mixed solvents of tetrachloroethane andn-hexane.1H NMR and X-ray diffraction data are in support of the thione tautomeric form. The X-ray analysis shows the molecule crystallizes as a zwitterion, with proton transfer from the nominal phenol to the azide group; the N—N bond length is 1.291 (5) Å, and an intramolecular N—H...O hydrogen bond is formed. In the crystal, N—H...O, N—H...N and O—H...S hydrogen bonds connect the molecules into a three-dimensional network. The tetrachloroethane solvent molecules are linked to this network through weak C—H...O linkages.

Self-assembly Through Non-coordinating Intermolecular Forces, Part 2 [1]. Synthesis, Crystal Structure and Packing of [Cu2(μ-phthalazine)3(phthalazine)2][CF3SO3]2

2008 ◽  
Vol 63 (10) ◽  
pp. 1169-1174
Author(s):  
Laurent Plasseraud ◽  
Hélène Cattey ◽  
Philippe Richard
Keyword(s):  
Self Assembly ◽  
Electrostatic Interactions ◽  
Building Blocks ◽  
Intermolecular Forces ◽  
Acetonitrile Solution ◽  
The Novel ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Dimensional Network ◽  
Copper Centre

Abstract Treatment of the copper(I) trifluoromethanesulphonate toluene complex {[Cu(CF3SO3)]2 · C6H5Me} (1) with phthalazine (phtz, C8H6N2) in dichloromethane-acetonitrile solution yielded, via the bis(acetonitrile)tris(μ-phthalazine)dicopper(I) trifluoromethanesulphonate intermediate (2), the novel bis(phthalazine)tris(μ-phthalazine)dicopper(I) trifluoromethanesulphonate salt (3). Compound 3 was completely characterised and the molecular structure determined by single-crystal X-ray diffraction. Complex 3 crystallises in the monoclinic system, space group C2/c, with a = 26.9527(10), b = 10.9558(7), c = 19.2104(10) Å , β = 127.268(2)◦, V = 4514.3(4) Å3 and Z = 4. The copper(I) coordination geometry is tetrahedral, each copper centre being linked to four phthalazine molecules. Dicationic units of 3 which present an unusual paddle wheel-like shape constitute appropriate organometallic building blocks for the construction of a supramolecular solid-state architecture. The analysis of the packing of the molecules of 3 in the crystal revealed an unprecedented 2-dimensional network, resulting from intermolecular π-π and electrostatic interactions.

scholarly journals Preparation and Characterization of bis (4-methoxyanilinium) tetrachlorozincate

2014 ◽  
Vol 10 (3) ◽  
pp. 2355-2362
Author(s):  
H. Rahmouni ◽  
W. Smirani Sta ◽  
M. Rzaigui
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Van Der Waals Interactions ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Organic Layers ◽  
Dimensional Network ◽  
Uv Visible

A new zinc complex of formula [C7H10NO]2 ZnCl4 has been prepared and characterized by X-ray diffraction,  IR and UV-Visible spectroscopies. The complex crystallizes in the monoclinic space group P21/n with a minimal tetrahedral distortion of the ZnCl42- ion and with lattice parameters: a =12.054 (2) Å, b =7.129 (3) Å, c =23.480 (2) Å, β = 100.67 (2)°, V = 1983.03 (1) Å3 and Z = 4. The crystal structure was solved and refined to R = 0.080 and RW = 0.227 with 9611 independent reflections. It can be described by organic layers of p-anisidinium cations held together by C-H…O hydrogen bonds parallel to (010) plane, linked to the inorganic groups of ZnCl42- anions through N-H…Cl hydrogen bonds, electrostatic and Van Der Waals interactions, to form a three-dimensional network.

scholarly journals Crystal structure of (R)-5-[(R)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone

2020 ◽  
Vol 76 (3) ◽  
pp. 400-403
Author(s):  
Ali Oubella ◽  
My Youssef Ait Itto ◽  
Aziz Auhmani ◽  
Abdelkhalek Riahi ◽  
Jean-Claude Daran ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Column Chromatography ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H18ClNO2, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified via 1H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered dihydroisoxazole ring to which a p-chlorophenyl group and a cyclohex-2-enone ring are attached in the 3 and 5 positions. The cyclohex-2-one and isoxazoline rings each exhibit an envelope conformation. The crystal packing features C—H...O, C—H...N and C—H...π interactions, which generate a three-dimensional network.

scholarly journals Synthesis and X-Ray Structure of (1Z,2Z)-1,2-Bis(2-(phenylsulfonyl)-1-(4-tolyl)ethylidene)hydrazine

2014 ◽  
Vol 2014 ◽  
pp. 1-5 ◽  
Author(s):  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Khalid A. Al-Rashood ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Closed Vessel ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Intramolecular Hydrogen ◽  
Single Crystal Analysis

The title compound (1Z,2Z)-1,2-bis(2-(phenylsulfonyl)-1-(4-tolyl)ethylidene)hydrazine (5) was prepared, in 78% yield, by the reaction of 2-(phenylsulfonyl)-1-(4-tolyl)ethan-1-one (3) with hydrazine hydrate in acetic acid at 90°C under microwave irradiation in a closed vessel with power 100 W for 3 min. The structure of the newly synthesized compound was established under the basis of its IR, mass,1H NMR, and X-ray single crystal analysis. The crystal of5belongs to monoclinic space group,P21/c, witha=5.2944(3) Å,b=17.5748(9) Å,c=15.4701(8) Å,β=105.767(4)°,Z=2,V=1385.30(13) Å3,Dc=1.306 Mg m−3,μ=2.05 mm−1,F(000)=572,R=0.075, andwR=0.224for 1419 observed reflections withI>2σ(I). The asymmetric unit of compound5contains one molecule withZconfiguration about the C7=N1 and C7A=N1A double bond. ThisZconfiguration of5is stabilized by intramolecular hydrogen bonds C1–H1A⋯N1 and C1A–H1AA⋯N1A. The molecular packing in the crystal structure of5is stabilized by intermolecular interactions forming a three-dimensional network.

Ten-Vertex Polyhedral Monocarbaborane Chemistry. The Novel High-Yield Formation of the Ten-Vertex closo Compound [6-(PMe2Ph)-closo-1-CB9H9] from the Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11]

1993 ◽  
Vol 58 (12) ◽  
pp. 2924-2935 ◽  
Author(s):  
Jane H. Jones ◽  
Bohumil Štíbr ◽  
John D. Kennedy ◽  
Mark Thornton-Pett
Keyword(s):  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
High Yield ◽  
Monoclinic Space Group ◽  
The Novel ◽  
X Ray Diffraction ◽  
Metal Centre ◽  
X Ray ◽  
Yield Formation ◽  
Boiling Toluene

Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11] in boiling toluene solution results in an elimination of the platinum centre and cluster closure to give the ten-vertex closo species [6-(PMe2Ph)-closo-1-CB9H9] in 85% yield as a colourles air stable solid. The product is characterized by NMR spectroscopy and single-crystal X-ray diffraction analysis. Crystals (from hexane-dichloromethane) are monoclinic, space group P21/c, with a = 903.20(9), b = 1 481.86(11), c = 2 320.0(2) pm, β = 97.860(7)° and Z = 8, and the structure has been refined to R(Rw) = 0.045(0.051) for 3 281 observed reflections with Fo > 2.0σ(Fo). The clean high-yield elimination of a metal centre from a polyhedral metallaborane or metallaheteroborane species is very rare.

Sign in / Sign up

Export Citation Format

Share Document