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1.
The solid‐state structure of the title compound, C19H15NS2, is unusual among substituted thiophene/pyrrole derivatives in that the molecular packing is dominated by π–π interactions between the benzyl substituents. This may be due to the large torsion angles observed between adjacent heterocycles. Torsion angles between adjacent rings in poly­pyrrole and poly­thio­phene conducting polymers are related to conjugation length and the conductivity properties of the polymer materials. The title compound crystallizes in space group P21/c with two mol­ecules in the asymmetric unit, both of which exhibit disorder in one of their thio­phene rings.  相似文献   

2.
Activated dihydridocarbonyltris(triphenylphosphine)ruthenium catalyzes the cyclodimerization of both bis(2‐thienyl)acetylene and bis(3‐thienyl)acetylene to yield, respectively, 4,5,6‐tris(2′‐thienyl)‐benzo[b]thiophene and 5,6,7‐tris(3′‐thienyl)benzo[b]thiophene. These fluoresce in the blue. Both undergo irreversible one electron oxidation at & sim1.1 mV versus Ag/Ag+ electrode, consistent with oxidation of the benzo[b]thiophene nuclei rather than the substituent thiophene rings.  相似文献   

3.
In the crystal structure of the title compound, C18H11N5O2, two crystallographically independent mol­ecules having the same composition and ciscis conformation (arrangement of the pyridyl rings) are observed. A C—H⃛N hydrogen bond links the centrosymmetrically related mol­ecules into a discrete pair [C⃛N = 3.462 (4) Å], and the structure is stabilized further by π–π‐stacking interactions between aromatic rings from two adjacent dimers.  相似文献   

4.
In the methanol solvate crystal form of the title diacid diglycol calixarene, C54H72O10·CH4O, two calixarene mol­ecules (in the cone conformation) are dimerized via two methanol mol­ecules hydrogen bonded to the carboxyl groups. An intramolecular bond is also formed between a carboxylic proton and an ether O atom. This result is relevant to the interpretation of the acidic and complexation properties of calixarene carboxylic acids.  相似文献   

5.
The structure of the title compound, [Cu2(C19H18N3O)2](ClO4)2, was reported with insufficient accuracy because of a twinning problem by Adams, Bailey, Campbell, Fenton & He [J. Chem. Soc. DaltonTrans. (1996), pp. 2233–2237]. The dinuclear phenolate‐bridged CuII complex has an inversion centre.  相似文献   

6.
In the crystal structure of the title compound, C20H16N4O2, the two pyridine rings subtend dihedral angles of 39.0 (1) and 43.4 (2)° with the mean quinoxaline plane and 67.6 (1)° with each other. The orientation of the pyridine rings is such that their N‐donors face each other (ciscis conformation) with a separation of 3.169 (2) Å. There exist significant π–π interactions responsible for the formation of stacks along the crystallographic a axis of the crystal.  相似文献   

7.
In an effort to design efficient low‐cost polymers for use in organic photovoltaic cells the easily prepared donor–acceptor–donor triad of a either cis‐benzobisoxazole, trans‐benzobisoxazole or trans‐benzobisthiazole flanked by two thiophene rings was combined with the electron‐rich 4,8‐bis(5‐(2‐ethylhexyl)‐thien‐2‐yl)‐benzo[1,2‐b:4,5‐b′]dithiophene. The electrochemical, optical, morphological, charge transport, and photovoltaic properties of the resulting terpolymers were investigated. Although the polymers differed in the arrangement and/or nature of the chalcogens, they all had similar highest occupied molecular orbital energy levels (?5.2 to ?5.3 eV) and optical band gaps (2.1–2.2 eV). However, the lowest unoccupied molecular orbital energy levels ranged from ?3.1 to ?3.5 eV. When the polymers were used as electron donors in bulk heterojunction photovoltaic devices with PC71BM ([6,6]‐phenyl C71‐butyric acid methyl ester) as the acceptor, the trans‐benzobisoxazole polymer had the best performance with a power conversion efficiency of 2.8%. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 316–324  相似文献   

8.
The title compound, C17H14F6O2S2, a photochromic di­aryl­ethene, is one of the most promising materials for optical memories and other optoelectronic devices. The hexafluoro­cyclopentene group and the two thio­phene rings are all planar, and the dihedral angles between the cyclo­pentene ring and the adjacent thio­phene rings are 46.4 (1) and 49.5 (1)°.  相似文献   

9.
The title compounds are isomorphous, comprised of neutral monomeric [M(phen)2(dca)2] [(I): M = Mn, (II): M = Zn; phen is 1,10‐phenanthroline, C12H8N2; dca is dicyan­amide, C2N3] mol­ecules. In the mol­ecule, the divalent metal ion is in a distorted octahedral coordination environment formed by six N atoms from the phen and dca ligands. The Mn—N [2.144 (2)–2.319 (2) Å] and Zn—N [2.075 (2)–2.245 (2) Å] distances are in agreement with the difference in size of the two divalent ions.  相似文献   

10.
In the adduct 1,2‐bis(4‐pyridyl)­ethane–1,1,1‐tris(4‐hydroxy­phenyl)­ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol mol­ecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)­triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl mol­ecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)­ethene–1,1,1‐tris(4‐hydroxy­phenyl)­ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the mol­ecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100].  相似文献   

11.
12.
The solid‐state structure of the title compound, alternatively called 2‐amino­anilinium hydrogen phosphonate, C6H9N2+·H2PO3?, shows the monoprotonated di­amine mol­ecule to be multiply hydrogen bonded to HPO3H? anions. There is no inter‐phosphite hydrogen bonding, contrary to previous solid‐state observations of the species.  相似文献   

13.
In the title centrosymmetric dimer, [Pb2(sbc)2(phen)2]·2H2O [sbc is the 2‐sulfonatobenzoate dianion (C7H4O5S) and phen is 1,10‐phenanthroline (C12H8N2)], each PbII ion is six‐coordinated by four O atoms, viz. carboxyl­ate and sulfonate O atoms from two sbc anions, and two N atoms from a 1,10‐phenanthroline ligand. One 1,10‐phenanthroline ligand and the carboxyl­ate group of one sbc ligand are chelated to each PbII cation, and the sulfonate group of the other sbc unit is monodentate. One O atom of the chelated carboxyl­ate group also bridges to the other PbII cation, so that each pair of PbII ions is bridged by two sbc anions and has the same coordination environment, forming a dinuclear ring. Each pair of PbII ions is thus connected by two different kinds of bridges, namely a carboxyl­ate short bridge and a carboxyl­ate–sulfonate long bridge. There is also a special position of site symmetry at the centre of the two PbII cations.  相似文献   

14.
The title compound, tris­[2‐(4,5‐dihydrooxazol‐2‐yl‐κN)phenolato‐κO]­iron(III), [Fe(C9H8NO2)3], is disordered over a non‐crystallographic twofold rotation axis perpendicular to the crystallographic threefold rotation axis. The disorder can be a pure rotational disorder of an iron complex in the facial configuration, or the consequence of a mixture of facial and meridional configurations. In the latter case, at least 25% of the iron complexes must adopt the facial configuration in order to obtain the disorder ratio observed in the crystal.  相似文献   

15.
(Z)‐3‐(1H‐Indol‐3‐yl)‐2‐(3‐thienyl)­acrylo­nitrile, C15H10N2S, (I), and (Z)‐3‐[1‐(4‐tert‐butyl­benzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)­acrylo­nitrile, C26H24N2S, (II), were prepared by base‐catalyzed reactions of the corresponding indole‐3‐carbox­aldehyde with thio­phene‐3‐aceto­nitrile. 1H/13C NMR spectral data and X‐ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thio­phene moieties has Z geometry in both cases, and the mol­ecules crystallize in space groups P21/c and C2/c for (I) and (II), respectively. Slight thienyl ring‐flip disorder (ca 5.6%) was observed and modeled for (I).  相似文献   

16.
The title compound, [Co(C5H7O2)2], contains isolated mol­ecules. The Co atom is located on a centre of symmetry with the bidentate ligands adopting a square‐planar geometry about the Co atom.  相似文献   

17.
The title compound, [Ni(BMTT)2], where BMTT is 1,3‐bis(2‐methyl­tetrazol‐5‐yl)­triazenide (C4H6N11), presents a molecular complex with tridentate ligands. The tridentate mode of the ligand is realised through the central N atom of the triazene group and two N atoms of the two tetrazole rings. The [Ni(BMTT)2] mol­ecule is the meridional isomer, with crystallographic symmetry in space group P42/n. The nickel centre has a distorted octahedral environment, with two axial Ni—N bonds of 2.041 (2) Å and four equatorial Ni—N bonds of 2.0739 (14) Å. The mol­ecules are linked together by van der Waals interactions only.  相似文献   

18.
In the title compound, [Cu(C10H18N5)(CH4O)]ClO4, four N atoms from the deprotonated ligand derived from bis(3‐amino­propyl)­amine and 2‐imidazole­carbox­aldehyde are coordinated to the Cu atom. The four N atoms occupy equatorial positions with Cu—N bond distances ranging from 1.998 (2) to 2.046 (3) Å. The methanol O atom occupies one axial position with a Cu—O bond distance of 2.295 (2) Å.  相似文献   

19.
The title compound, C20H14N4, lies about an inversion centre and the benz­imidazole moiety and the phenyl ring are twisted by 30.9 (1)°. The benz­imidazole moiety is completely planar, with a maximum deviation of 0.009 (2) Å. Intermolecular N—­H?N hydrogen bonds give rise to a layered structure, with the layers stacked by van der Waals interactions.  相似文献   

20.
In the title copper(II) compound, [Cu(C7H4BrO2)(ClO4)(C12H8N2)], the Cu atom is five‐coordinated in a distorted square‐pyramidal geometry by the N‐ and O‐donors of 4‐bromo‐2‐formyl­phenolate, 1,10‐phenanthroline and perchlorate. Pairs of complexes are linked together by Cu⋯O(phenolate) and π–π stacking inter­actions between 4‐bromo‐2‐formyl­phenolate and 1,10‐phenanthroline. Along the crystallographic a axis, the dimers are linked by hydrogen bonds between a perchlorate O atom and a 4‐bromo‐2‐formyl­phenolate H atom, and by further π–π stacking inter­actions. Hydrogen bonding between the Br atom and a 1,10‐phenanthroline H atom takes place between the stacks of dimers.  相似文献   

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