共查询到20条相似文献,搜索用时 31 毫秒
1.
Tsonko Kolev Denitsa Yancheva Boris Shivachev Rosica Petrova Michael Spiteller 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o213-o215
The title compound, C16H9NO4, also known as the 3‐benzoylpyridinium betaine of squaric acid, exhibits a dipolar electronic ground‐state structure with a positively charged pyridinium fragment and a negatively charged squarate moiety. In the molecule, the two aromatic rings are twisted by 56.03 (2)° relative to one another. The three‐dimensional packing of the molecules is stabilized by C—H·O short contacts. 相似文献
2.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献
3.
Ahmet Bulut brahim Uar Okan Zafer Yeilel Hasan budak Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m526-m528
The title mononuclear [Cu(sq)(phen)2]·3H2O complex [sq is squarate (C4O4) and phen is 1,10‐phenanthroline (C12H8N2)] has been synthesized and the structure consists of a neutral mononuclear [Cu(sq)(phen)2] unit and three solvate water molecules. The CuII ion has distorted square‐pyramidal coordination geometry, comprised of one carboxylate O atom from a monodentate squarate ligand and four N atoms from two chelating phen ligands. An extensive three‐dimensional network of OW—H⋯O/OW hydrogen bonds, face‐to‐face π–π interactions between the 1,10‐phenanthroline aromatic rings and a weak π–ring interaction are responsible for crystal stabilization. 相似文献
4.
brahim Uar Ahmet Bulut Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m428-m431
The asymmetric unit of the title compound, {[Pb(C4O4)(C12H8N2)2(H2O)]·2H2O}n, contains one squarate dianion, two phenanthroline (phen) ligands and one aqua ligand all coordinated to Pb, and two solvent water molecules. The eight‐coordinate Pb metal ion displays a distorted bicapped trigonal–prismatic coordination environment, defined by three squarate O atoms, four N atoms from two chelating phen ligands and one O atom from the coordinated water molecule. The crystal structure contains chains of squarate‐1,2,3‐bridged PbII ions running in the [010] direction. These polymeric chains are linked to one another via offset face‐to‐face π–π interactions between the phen ligands, which lead to a two‐dimensional network extending along the (001) plane. The crystal structure is also stabilized by O—H⋯O intermolecular hydrogen‐bond interactions, forming a three‐dimensional network. 相似文献
5.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m266-m268
In the crystal structure of the synthetically prepared title compound, [Cu(C14H12N2)2](C4HO4)·0.5H2O or [Cu(dmphen)2](HSq)·0.5H2O (dmphen is 2,9‐dimethyl‐1,10‐phenanthroline or neocuproine and HSq is hydrogen squarate), the CuI centre has distorted tetrahedral coordination geometry comprised of four N atoms from two bidentate dmphen ligands. The squarate monoanions form a ten‐membered dimer, graph set R22(10), linked by two strong intermolecular O—H⋯O hydrogen bonds. These squarate dimers are linked into chains that propagate along the [100] direction. An extensive three‐dimensional network of C—H⋯O hydrogen bonds and π–π interactions is responsible for stabilization of the crystal structure. 相似文献
6.
Burkhard Schulz Julia Bricks Yan‐Qin Li Ute Resch‐Genger Günter Reck 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o402-o404
1‐Methyl‐2‐[4‐phenyl‐6‐(pyridinium‐2‐yl)pyridin‐2‐yl]pyridinium diperchlorate, C22H19N32+·2ClO4−, (I), and 2‐[4‐(methoxyphenyl)‐2,2′‐bipyridin‐6‐yl]‐1‐methylpyridinium iodide, C23H20N3O+·I−, (II), both crystallize in the monoclinic space group P21/c. In contrast with the monocharged molecule of (II), the doubly charged molecule of (I) contains an additional protonated pyridine ring. One of the two perchlorate counter‐anions of (I) interacts with the cation of (I) via an N—H⋯O hydrogen bond. In (II), two molecules related by a centre of symmetry are connected by weak π–π interactions, forming dimers in the crystal structure. 相似文献
7.
brahim Uar Okan Zafer Yeilel Ahmet Bulut Hasan budak Halis
lmez Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m392-m394
In the crystal structure of the title compound, [Cd(C6H15NO3)2](C4O4)·H2O, a supramolecular structure is observed. The asymmetric unit consists of one unit of the cationic Cd complex, one water molecule and two half‐squarate anions, each sitting on a crystallographic inversion center. The different coordinations of the two triethanolamine (TEA) ligands results in an unusual example of coordination number seven for the CdII ion. Both TEA ligands coordinate to the CdII ion, forming a distorted monocapped trigonal prismatic geometry with approximate C2v symmetry. One of the TEA ligands acts as an N,O,O′‐tridentate ligand, whereas the other behaves as an N,O,O′,O′′‐tetradentate donor. The anions and cations are linked to one another by hydrogen bonds between hydroxy H atoms of the TEA ligands and squarate O atoms. The crystal structure is stabilized by O—H⋯O hydrogen bonds between the unligated water molecule and a squarate O atom, together with a weak π–ring interaction between the ethylene group of a TEA ligand and a squarate anion. 相似文献
8.
Dan Jin Zhao‐Fu Dai De‐Chun Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):o50-o52
In the title compound, C15H16NO+·C24H20B−, the pyridinium ring of the cation makes a dihedral angle of 4.3 (2)° with the benzene ring. Each is rotated in the same direction with respect to the central C—CH=CH—C linkage, by 10.0 (2) and 7.8 (2)°, respectively. The anions have a slightly distorted tetrahedral geometry. The most interesting feature of the structure is that the anions form a honeycomb‐like hexagonal structure down the b axis through C—H...π interactions. The hexagon is constructed from six BPh4− anions. The cations interact in a head‐to‐tail fashion along [010], forming chains, and pack antiparallel inside the above honeycomb‐like structure through C—H...π interactions. 相似文献
9.
Md. Badruz Zaman Masaaki Tomura Yoshiro Yamashita 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):621-624
The title compounds, 4,4′‐(ethyne‐1,2‐diyl)dipyridinium bis(squarate), C12H10N22+·2C4HO4?, and 4,4′‐(ethene‐1,2‐diyl)dipyridinium bis(squarate), C12H12N22+·2C4HO4?, are isomorphous and crystallize in space group P. The cocrystals contain linear hydrogen‐bonded molecular tape structures along the [120] direction. The squarate monoanions form a ten‐membered dimer linked by two intermolecular O—H?O hydrogen bonds. Each component molecule forms a segregated stack along the c axis. The bond lengths of the squarate monoanion indicate delocalization of the enolate anion. 相似文献
10.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(8):593-599
The salts 3‐[(2,2,3,3‐tetrafluoropropoxy)methyl]pyridinium saccharinate, C9H10F4NO+·C7H4NO3S−, (1), and 3‐[(2,2,3,3,3‐pentafluoropropoxy)methyl]pyridinium saccharinate, C9H9F5NO+·C7H4NO3S−, (2), i.e. saccharinate (or 1,1‐dioxo‐1λ6,2‐benzothiazol‐3‐olate) salts of pyridinium with –CH2OCH2CF2CF2H and –CH2OCH2CF2CF3meta substituents, respectively, were investigated crystallographically in order to compare their fluorine‐related weak interactions in the solid state. Both salts demonstrate a stable synthon formed by the pyridinium cation and the saccharinate anion, in which a seven‐membered ring reveals a double hydrogen‐bonding pattern. The twist between the pyridinium plane and the saccharinate plane in (2) is 21.26 (8)° and that in (1) is 8.03 (6)°. Both salts also show stacks of alternating cation–anion π‐interactions. The layer distances, calculated from the centroid of the saccharinate plane to the neighbouring pyridinium planes, above and below, are 3.406 (2) and 3.517 (2) Å in (1), and 3.409 (3) and 3.458 (3) Å in (2). 相似文献
11.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o585-o588
The crystal structure determinations of picolinamidium squarate, C6H7N2O+·C4O4−, (I), and di‐p‐toluidinium squarate dihydrate, 2C7H10N+·C4O42−·2H2O, (II), are reported. While salt formation occurs by donation of one H atom from squaric acid to the picolinamide molecule in (I), in compound (II), each squaric acid molecule donates one H atom to the p‐toluidine N atom of two trans p‐toluidine molecules. In (I), the pyridine ring is coplanar with the squarate monoanion through imposed crystallographic mirror symmetry; in (II), the dihedral angle between the p‐toluidine moiety and the squarate dianion is 70.71 (1)°. In (I), a three‐dimensional structure is formed via van der Waals interactions between parallel planes of molecules, with hydrogen‐bond interactions (N—H⋯O and O—H⋯O) acting within the planes; hydrogen bonds form a three‐dimensional network in (II). 相似文献
12.
Yi Wang Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(11):o431-o435
In the inner‐salt zwitterion of 3,6‐bis(pyridin‐2‐yl)pyrazine‐2,5‐dicarboxylic acid, (I), namely 5‐carboxy‐3‐(pyridin‐1‐ium‐2‐yl)‐6‐(pyridin‐2‐yl)pyrazine‐2‐carboxylate, [C16H10N4O4, (Ia)], the pyrazine ring has a twist–boat conformation. The opposing pyridine and pyridinium rings are almost perpendicular to one another, with a dihedral angle of 80.24 (18)°, and are inclined to the pyrazine mean plane by 36.83 (17) and 43.74 (17)°, respectively. The carboxy and carboxylate groups are inclined to the mean plane of the pyrazine ring by 43.60 (17) and 45.46 (17)°, respectively. In the crystal structure, the molecules are linked via N—H...O and O—H...O hydrogen bonds, leading to the formation of double‐stranded chains propagating in the [010] direction. On treating (Ia) with aqueous 1 M HCl, the diprotonated dihydrate form 2,2′‐(3,6‐dicarboxypyrazine‐2,5‐diyl)bis(pyridin‐1‐ium) dichloride dihydrate [C16H12N4O42+·2Cl−·2H2O, (Ib)] was obtained. The cation lies about an inversion centre. The pyridinium rings and carboxy groups are inclined to the planar pyrazine ring by 55.53 (9) and 19.8 (2)°, respectively. In the crystal structure, the molecules are involved in N—H...Cl, O—H...Owater and Owater—H...Cl hydrogen bonds, leading to the formation of chains propagating in the [010] direction. When (Ia) was recrystallized from dimethyl sulfoxide (DMSO), the DMSO disolvate 3,6‐bis(pyridin‐2‐yl)pyrazine‐2,5‐dicarboxylic acid dimethyl sulfoxide disolvate [C16H10N4O4·2C2H6OS, (Ic)] of (I) was obtained. Here, the molecule of (I) lies about an inversion centre and the pyridine rings are inclined to the planar pyrazine ring by only 23.59 (12)°. However, the carboxy groups are inclined to the pyrazine ring by 69.0 (3)°. In the crystal structure, the carboxy groups are linked to the DMSO molecules by O—H...O hydrogen bonds. In all three crystal structures, the presence of nonclassical hydrogen bonds gives rise to the formation of three‐dimensional supramolecular architectures. 相似文献
13.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):682-687
To enable a comparison between a C—H…X hydrogen bond and a halogen bond, the structures of two fluorous‐substituted pyridinium iodide salts have been determined. 4‐[(2,2‐Difluoroethoxy)methyl]pyridinium iodide, C8H10F2NO+·I−, (1), has a –CH2OCH2CF2H substituent at the para position of the pyridinium ring and 4‐[(3‐chloro‐2,2,3,3‐tetrafluoropropoxy)methyl]pyridinium iodide, C9H9ClF4NO+·I−, (2), has a –CH2OCH2CF2CF2Cl substituent at the para position of the pyridinium ring. In salt (1), the iodide anion is involved in one N—H…I and three C—H…I hydrogen bonds, which, together with C—H…F hydrogen bonds, link the cations and anions into a three‐dimensional network. For salt (2), the iodide anion is involved in one N—H…I hydrogen bond, two C—H…I hydrogen bonds and one C—Cl…I halogen bond; additional C—H…F and C—F…F interactions link the cations and anions into a three‐dimensional arrangement. 相似文献
14.
Catherine Michaux Caroline Charlier Fabien Julmont Jean‐Michel Dogn Xavier De Leval Bernadette Norberg Bernard Pirotte Franois Durant 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o88-o89
The title compound, C12H12N2O3S, is a strict pyridine analogue of nimesulide, a selective inhibitor of cyclooxygenase‐2. The structure is characterized by a pyridinium ring with a deprotonated sulfonamide group. An intermolecular charge‐assisted hydrogen bond between these two groups is observed within the crystal packing, linking the molecules into an infinite chain running along the b‐axis direction. 相似文献
15.
Gang Xue Wen Xu Wentao Yu Qi Fang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):m27-m29
The title compound, (C7H10N)[Ni(C3S5)2] or (Etpy)[Ni(dmit)2] (where Etpy is the N‐ethylpyridinium cation, C7H10N+, and dmit is the 2‐thioxo‐1,3‐dithiole‐4,5‐dithiolate dianion, C3S52−), crystallizes in the P space group with two molecules in the asymmetric unit. The [Ni(dmit)2]− monoanion has a planar D2h conformation, with the central Ni atom and the four coordinated S atoms forming an NiS4 square plane. The six‐membered ring of the Etpy cation also shows good planarity, as expected. There are two main types of disorder in the two Etpy cations. Several short intermolecular interactions are present, such as S⋯S, Ni⋯S and Ni⋯Ni, which help to form the enhanced three‐dimensional structure of the crystal. 相似文献
16.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):754-759
We report the synthesis and characterization of a novel 4‐(dimethylamino)pyridinium‐substituted η3‐cycloheptatrienide–Pd complex which is free of halide ligands. Diacetonitrile{η3‐[4‐(dimethylamino)pyridinium‐1‐yl]cycloheptatrienido}palladium(II) bis(tetrafluoroborate), [Pd(C2H3N)2(C14H16N2)](BF4)2, was prepared by the exchange of two bromide ligands for noncoordinating anions, which results in the empty coordination sites being occupied by acetonitrile ligands. As described previously, exchange of only one bromide leads to a dimeric complex, di‐μ‐bromido‐bis({η3‐[4‐(dimethylamino)pyridinium‐1‐yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate, [Pd2Br2(C14H16N2)2](BF4)2·2CH3CN, with bridging bromide ligands, and the crystal structure of this compound is also reported here. The structures of the cycloheptatrienide ligands of both complexes are analogous to the dibromide derivative, showing the allyl bond in the β‐position with respect to the pyridinium substituent. This indicates that, unlike a previous interpretation, the main reason for the formation of the β‐isomer cannot be internal hydrogen bonding between the cationic substituents and bromide ligands. 相似文献
17.
The synthesis of the novel 2,4,6‐triaryl‐1‐(spiro[2H‐1‐benzopyran‐2,2′‐indoline]‐6‐yl)pyridiniumper‐chlorates 4 by reaction of 5 ‐nitrosalicylaldehydes 6 with 1,3,3‐trimethyl‐2‐methyleneindoline ( 7 ) to 6‐nitro‐spiro[2H‐1‐benzopyran‐2,2′‐indolines] 1 , their stannous chloride reduction to the 6‐amino derivatives 8 , followed by a 2,6‐[C5+N] ring transformation with 2,4,6‐triarylpyrylium perchlorates 9 , is reported. UV irradiation experiments in twenty solvents of different polarity prove their photochromic properties and show that the photochemically generated negative solvatochromic dyes 5 , formed by ring opening of the benzopyran moiety of 4 , are rather merocyanine than pyridinium phenolate betaine dyes. 相似文献
18.
Samuel Robinson Jebas A. Sinthiya B. Ravindran Durai Nayagam Dieter Schollmeyer S. Alfred Cecil Raj 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):o361-o364
In the title compounds, 4‐aminopyridinium 4‐aminobenzoate dihydrate, C7H6NO2−·C5H7N2+·2H2O, (I), and 4‐aminopyridinium nicotinate, C5H7N2+·C6H4NO2−, (II), the aromatic N atoms of the 4‐aminopyridinium cations are protonated. In (I), the asymmetric unit is composed of two 4‐aminopyridinium cations, two 4‐aminobenzoate anions and four water molecules, and the compound crystallizes in a noncentrosymmetric space group. The two sets of independent molecules of (I) are related by a centre of symmetry which is not part of the space group. In (I), the protonated pyridinium ring H atoms are involved in bifurcated hydrogen bonding with carboxylate O atoms to form an R12(4) ring motif. The water molecules link the ions to form a two‐dimensional network along the (10) plane. In (II), an intramolecular bifurcated hydrogen bond generates an R12(4) ring motif and inter‐ion hydrogen bonding generates an R42(16) ring motif. The packing of adduct (II) is consolidated via N—H...O and N—H...N hydrogen bonds to form a two‐dimensional network along the (10) plane. 相似文献
19.
Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):m105-m107
The title compound, {[Co(C8H7NO2)2(H2O)2](NO3)2}n, is the first d‐metal ion complex involving bidentate bridging of a β‐dialdehyde group. The Co2+ ion is situated on an inversion centre and adopts an octahedral coordination with four equatorial aldehyde O atoms [Co—O = 2.0910 (14) and 2.1083 (14) Å] and two axial aqua ligands [Co—O = 2.0631 (13) Å]. The title compound has a two‐dimensional square‐grid framework structure supported by propane‐1,3‐dionate O:O′‐bridges between the metal ions. The organic ligand itself possesses a zwitterionic structure, involving conjugated anionic propane‐1,3‐dionate and cationic pyridinium fragments. Hydrogen bonding between coordinated water molecules, the pyridinium NH group and the nitrate anions [O...O = 2.749 (2) and 2.766 (3) Å, and N...O = 2.864 (3) Å] is essential for the crystal packing. 相似文献
20.
Yu‐Biao Chen Yao Kang Ye‐Yan Qin Zhao‐Ji Li Jian‐Kai Cheng Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m263-m265
The title compound, [Ag2(NO3)2(C5H5NS)]n, was obtained from the reaction of silver nitrate with bis(4‐pyridyl) disufide (4‐PDS) in a mixture of ethanol and water, which suggests that the disulfide bond of 4‐PDS can be cleaved under mild conditions. The structure of the title compound is a two‐dimensional infinite array in which the asymmetric unit contains two Ag atoms, a pyridinium‐4‐thiolate molecule and two nitrate groups. Each pyridinium‐4‐thiolate molecule acts as a μ4 bridge, linking four Ag atoms, with Ag—S bond distances of 2.4870 (19), 2.5791 (19), 2.5992 (19) and 2.848 (2) Å. The Ag⋯Ag distances lie in the range 2.889 (2)–3.049 (1) Å. 相似文献