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1.
The title compound, [Cu(C7H5O3)2(C6H6N2O)2(H2O)2], is a two‐dimensional hydrogen‐bonded supramolecular complex. The CuII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridine N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(4), R22(8) and R22(15) rings which lead to one‐dimensional polymeric chains. An extensive two‐dimensional network of N—H...O and O—H...O hydrogen bonds and C—H...π interactions are responsible for crystal stabilization.  相似文献   

2.
The title compound, [Co(C7H4FO2)2(C6H6N2O)2(H2O)2], is a three‐dimensional hydrogen‐bonded supramolecular complex. The CoII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridyl N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R32(6), R22(12) and R22(16) rings, which lead to two‐dimensional chains. An extensive three‐dimensional network of C—H...F, N—H...O and O—H...O hydrogen bonds and π–π interactions are responsible for crystal stabilization.  相似文献   

3.
The title two‐dimensional hydrogen‐bonded coordination compounds, [Cu(C8H5O4)2(C4H6N2)2], (I), and [Cu(C8H7O2)2(C4H6N2)2]·H2O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu2+ ion is coordinated by two N atoms from two 4‐methyl‐1H‐imidazole (4‐MeIM) molecules and two O atoms from two 3‐carboxybenzoate (HBDC) anions in a square‐planar geometry. Adjacent molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds into a two‐dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry‐independent molecules, in which each Cu2+ ion is also coordinated by two N atoms from two 4‐MeIM molecules and two O atoms from two 3‐methylbenzoate (3‐MeBC) anions in a square‐planar coordination. Two neutral complex molecules are held together via N—H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two‐dimensional network with the Schläfli symbol (43)2(46,66,83). In both compounds, as well as the strong intermolecular hydrogen bonds, π–π interactions also stabilize the crystal stacking.  相似文献   

4.
Imidazole‐4,5‐dicarboxylic acid (H3IDC) and its derivatives are widely used in the preparation of new coordination polymers owing to their versatile bridging coordination modes and potential hydrogen‐bonding donors and acceptors. A new one‐dimensional coordination polymer, namely catena‐poly[[diaquacadmium(II)]‐μ3‐2,2′‐(1,2‐phenylene)bis(1H‐imidazole‐4,5‐dicarboxylato)], [Cd(C16H6N4O8)0.5(H2O)2]n or [Cd(H2Phbidc)1/2(H2O)2]n, has been synthesized by the reaction of Cd(OAc)2·2H2O (OAc is acetate) with 2,2′‐(1,2‐phenylene)bis(1H‐imidazole‐4,5‐dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, one type of Cd ion (Cd1) is six‐coordinated by two N atoms and two O atoms from one H2Phbidc4− ligand and by two O atoms from two water molecules, forming a significantly distorted octahedral CdN2O4 coordination geometry. In contrast, the other type of Cd ion (Cd2) is six‐coordinated by two N atoms and two O atoms from two symmetry‐related H2Phbidc4− ligands and by two O atoms from two symmetry‐related water molecules, leading to a more regular octahedral coordination geometry. The Cd1 and Cd2 ions are linked by H2Phbidc4− ligands into a one‐dimensional chain which runs parallel to the b axis. In the crystal, the one‐dimensional chains are connected through hydrogen bonds, generating a two‐dimensional layered structure parallel to the ab plane. Adjacent layers are further linked by hydrogen bonds, forming a three‐dimensional structure in the solid state.  相似文献   

5.
In the title compound, {[K2Ni(C5O5)2(H2O)2]·4H2O}n, the Ni atom lies on an inversion centre. Two inversion‐related croconate [4,5‐dihydroxy‐4‐cyclo­pentene‐1,2,3‐trionate(2−)] ligands and an NiII ion form a near‐planar symmetrical [Ni(C5O5)2]2− moiety. The near‐square coordination centre of the moiety is then extended to an octa­hedral core by vertically bonding two water mol­ecules in the [Ni(C5O5)2(H2O)2]2− coordination anion. The crystal structure is characterized by a three‐dimensional network, involving strong K⋯O⋯K binding, K⋯O—Ni binding and hydrogen bonding.  相似文献   

6.
This study presents the coordination modes and crystal organization of a calcium–potassium coordination polymer, poly[hexaaquabis(μ4‐4‐carboxybenzenesulfonato‐κ4O1:O1′:O1′′:O4)bis(μ3‐4‐carboxybenzenesulfonato‐κ2O1:O1′)calcium(II)dipotassium(I)], [CaK2(C7H5O5S)4(H2O)6]n, displaying a novel two‐dimensional framework. The potassium ion is seven‐coordinated by four sulfonate and one carboxyl O atom located on five different acid ligands, two of which are unique, and by two symmetry‐independent water O atoms. A pair of close potassium ions share two inversion‐related sulfonate O‐atom sites to form a dimeric K2O12 unit, which is extended into a one‐dimensional array along the a‐axis direction. The six‐coordinate Ca2+ ion occupies a special position () at (0, , ) and is surrounded by four sulfonate O atoms from two inversion‐related pairs of unique acid monoanions and by two O atoms from aqua ligands. The compound displays a layered structure, with K2O12 and CaO6 polyhedra in the layers and aromatic linkers between the layers. The three‐dimensional scaffold is open, with nano‐sized channels along the c axis.  相似文献   

7.
In the crystal structures of both title compounds, [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]nickel(II) [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]nickel(II) chloride methanol disolvate, [Ni(C26H25.5N3O3)]2Cl·2CH4O, and [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]zinc(II) perchlorate [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]zinc(II) methanol trisolvate, [Zn(C26H25N3O3)]ClO4·[Zn(C26H26N3O3)]·3CH4O, the 3d metal ion is in an approximately octahedral environment composed of three facially coordinated imine N atoms and three phenol O atoms. The two mononuclear units are linked by three phenol–phenolate O—H...O hydrogen bonds to form a dimeric structure. In the Ni compound, the asymmetric unit consists of one mononuclear unit, one‐half of a chloride anion and a methanol solvent molecule. In the O—H...O hydrogen bonds, two H atoms are located near the centre of O...O and one H atom is disordered over two positions. The NiII compound is thus formulated as [Ni(H1.5L)]2Cl·2CH3OH [H3L is 1,3‐bis(2‐hydroxybenzylidene)‐2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methylpropane‐1,3‐diamine]. In the analogous ZnII compound, the asymmetric unit consists of two crystallographically independent mononuclear units, one perchlorate anion and three methanol solvent molecules. The mode of hydrogen bonding connecting the two mononuclear units is slightly different, and the formula can be written as [Zn(H2L)]ClO4·[Zn(HL)]·3CH3OH. In both compounds, each mononuclear unit is chiral with either a Δ or a Λ configuration because of the screw coordination arrangement of the achiral tripodal ligand around the 3d metal ion. In the dimeric structure, molecules with Δ–Δ and Λ–Λ pairs co‐exist in the crystal structure to form a racemic crystal. A notable difference is observed between the M—O(phenol) and M—O(phenolate) bond lengths, the former being longer than the latter. In addition, as the ionic radius of the metal ion decreases, the M—O and M—N bond distances decrease.  相似文献   

8.
The structure of the title compound, (C7H10NO)2[Mn2V10O28(H2O)10]·4H2O or (C5H4NHCH2CH2OH)2[{Mn(H2O)5}2V10O28]·4H2O, at 293 (2) K has triclinic (P) symmetry. The asymmetric unit consists of one half of a decavanadate anion of Ci symmetry, one [Mn(H2O)5]2+ group, one 2‐(2‐hydroxyethyl)pyridinium cation and two solvent water molecules. The decavanadate ion bridges between two [Mn(H2O)5]2+ groups, thus forming a dodecanuclear complex unit. Complex units are connected via a hydrogen‐bonding network, forming supramolecular layers lying in the (001) plane. Cations and solvent water molecules are located between these layers.  相似文献   

9.
The synthesis of coordination polymers or metal–organic frameworks (MOFs) has attracted considerable interest owing to the interesting structures and potential applications of these compounds. It is still a challenge to predict the exact structures and compositions of the final products. A new one‐dimensional coordination polymer, catena‐poly[[[bis{1‐[(1H‐benzimidazol‐2‐yl)methyl]‐1H‐tetrazole‐κN3}zinc(II)]‐μ‐hexane‐1,6‐dicarboxylato‐κ4O1,O1′:O6,O6′] monohydrate], {[Zn(C6H8O4)(C9H8N6)2]·H2O}n, has been synthesized by the reaction of Zn(Ac)2 (Ac is acetate) with 1‐[(1H‐benzimidazol‐2‐yl)methyl]‐1H‐tetrazole (bimt) and adipic acid (H2adi) at room temperature. In the polymer, each ZnII ion exhibits an irregular octahedral ZnN2O4 coordination geometry and is coordinated by two N atoms from two symmetry‐related bimt ligands and four O atoms from two symmetry‐related dianionic adipate ligands. ZnII ions are connected by adipate ligands into a one‐dimensional chain which runs parallel to the c axis. The bimt ligands coordinate to the ZnII ions in a monodentate mode on both sides of the main chain. In the crystal, the one‐dimensional chains are further connected through N—H…O hydrogen bonds, leading to a three‐dimensional supramolecular architecture. In addition, the title polymer exhibits fluorescence, with emissions at 334 and 350 nm in the solid state at room temperature.  相似文献   

10.
In the centrosymmetric dinuclear anions of the title bimetallic complex, {[Mg(H2O)6][Cu2(C8H2NO7)2]·2H2O}n, each CuII ion is strongly coordinated by four O atoms in a distorted square‐planar geometry. Two of these O atoms belong to phenolate groups and the other two to carboxylate groups from 5‐nitro‐2‐oxidoisophthalate (L1) trianions, derived from 5‐nitrobenzene‐1,2,3‐tricarboxylic acid (O2N–H3L). The phenolate O atoms bridge the two CuII ions in the anion. In addition, each CuII cation interacts weakly with a symmetry‐related carboxylate O atom of an adjacent L1 ligand, giving a square‐pyramidal coordination geometry. The copper residue forms a ladder‐like linear coordination polymer via L1 ligands. The [Mg(H2O)6]2+ cations sit on centres of inversion. The polymeric anions, cations and free water molecules are self‐assembled into a three‐dimensional supramolecular network via O—H...O hydrogen bonds.  相似文献   

11.
In the crystal structure of the title compound, [Ni(C6H6N2O)2(H2O)2](C7H4NO3S)2·4H2O or [Ni(pia)2(H2O)2](sac)2·4H2O (pia is picolin­amide or pyridine‐2‐carbox­amide, and sac is the saccharinate anion), the Ni2+ cation, located on a centre of symmetry, is coordinated by two symmetry‐related aqua ligands together with a pair of symmetry‐related bidentate pia mol­ecules and exhibits a distorted octahedral environment. The unique unligated sac anion in the asymmetric unit resides on a general position and has a single negative charge. The coordinated water mol­ecules link the sac ions to the metal complex via O—H⋯O hydrogen bonds. In addition, the sac ions are linked to the metal complex via intermolecular π–π interactions between the benzene ring of the sac ion and the pyridine ring of a pia ligand. Each uncoordinated water mol­ecule is hydrogen bonded to sac moieties through O—H⋯O and O—H⋯N hydrogen bonds.  相似文献   

12.
3‐(4‐carboxyphenyl)‐1‐methyltriazene N‐oxide reacts with KOH in methanol/pyridine to give {K[O2C‐C6H4‐N(H)NN(CH3)O]·4H2O}n, Potassium‐3‐(4‐carboxylatophenyl)‐1‐methyltriazene N‐oxide). The terminal carboxylato group of the anion does not interact with the cation. In the crystal lattice of {K(C8H8N3O3)·4H2O}n each three of the four water molecules interact with two potassium cations, every K+ ion being the centre of six bridging K···O interactions. Potassium cations interact further with the terminal N‐oxigen atom of single [C8H8N3O3]? anions achieving two parallel {C8H8N3O3?K+}n chains, which are linked through water molecules. The resulting polymeric, one‐dimensional chain, is operated by a screw axis 21 parallel to the crystallographic direction [010], along and equidistant to the K+ centres. The coordination of the K+ centres involves a distortion of the boat conformation of elementary sulfur (S8) with the ideal C2v symmetry.  相似文献   

13.
The two title compounds of 2,2′‐biimidazole (Bim) with 5‐sulfosalicylic acid (5‐H2SSA) and 2,2′‐bibenzimidazole (Bbim) with 5‐H2SSA are 1:2 organic salts, viz. C6H8N42+·2C7H5O6S, (I), and C14H12N42+·2C7H5O6S·3H2O, (II). The cation of compound (I) lies on a centre of inversion, whereas that of (II) lies on a twofold axis. Whilst compound (I) is anhydrous, three water molecules are incorporated into the crystal structure of (II). The substitution of imidazole H atoms by other chemical groups may favour the incorporation of water molecules into the crystal structure. In both compounds, the component cations and anions adopt a homogeneous arrangement, forming alternating cation and anion layers which run parallel to the (001) plane in (I) and to the (100) plane in (II). By a combination of N—H...O, O—H...O and C—H...O hydrogen bonds, the ions in both compounds are linked into three‐dimensional networks. In addition, π–π interactions are observed between symmetry‐related benzene rings of Bbim2+ cations in (II).  相似文献   

14.
Attempts to crystal engineer metallosupramolecularcomplexes from Cu(phen)2+ building blocks and the prototypical,rod‐like, exo‐bidentate ligand 4,4′‐bipyridine (4,4′‐bipy) by layering techniques are described. Reactions of Cu(phen)2+ (phen = 1,10‐phenanthroline) with 4,4′‐bipy in the presence of NO3 counterions yielded two distinct, discrete, dinuclear, Ci symmetric, dumbbell‐typecomplexes, [{Cu(NO3)2(phen)}2(4,4′‐bipy)] ( 1 ) and [{Cu(NO3)(phen)(H2O)}2(4,4′‐bipy)](NO3)2 ( 2 ), depending upon the mixture of solvents used for crystallization. In compound 1 , a mono‐ and a bidentate nitrato group coordinate to Cu2+, whereas in 2 the monodentate nitrato groups are replaced by aqua ligands, which introduce additional hydrogen‐bond donor functionality to the molecule. The crystal structure of 1 was determined by single‐crystal X‐ray analysis at 296 and 110 K. Upon cooling, a disorder‐order transition occurs, with retention of the space group symmetry. The crystal structure of 2 at room temperature was reported previously [Z.‐X. Du, J.‐X. Li, Acta Cryst. 2007 , E63, m2282]. We have redetermined the crystal structure of 2 at 100 K. A phase transition is not observed for 2 , but the low temperature single‐crystal structure determination is of significantly higher precision than the room temperature study. Both 1 and 2 are obtained phase‐pure, as proven by powder X‐ray diffraction of the bulk materials. Crystals of [Cu(phen)(CF3SO3)2(4,4′‐bipy) · 0.5H2O]n ( 3 ), a one‐dimensional coordination polymer, were obtained from [Cu(CF3SO3)2(phen)(H2O)2] and 4,4′‐bipy. In 3 , Cu(phen)2+ corner units are joined by 4,4′‐bipy via the two vacant cis sites to form polymeric zig‐zag chains, which are tightly packed in the crystal. Compounds 1 – 3 were further studied by infrared spectroscopy.  相似文献   

15.
In the crystal structure of the title compound {systematic name: bis­[6‐methyl‐1,2,3‐oxa­thia­zin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis­(3‐meth­yl­pyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octa­hedral geometry that is distorted both by the presence of four‐membered chelate rings and because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methyl­pyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two inter­molecular C—H⋯O inter­actions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group.  相似文献   

16.
The title compounds, trans‐bis(trans‐cyclohexane‐1,2‐diamine)bis(6‐methyl‐2,2,4‐trioxo‐3,4‐dihydro‐1,2,3‐oxathiazin‐3‐ido)copper(II), [Cu(C4H4NO4S)2(C6H14N2)2], (I), and trans‐diaquabis(cyclohexane‐1,2‐diamine)zinc(II) 6‐methyl‐2,2,4‐trioxo‐3,4‐dihydro‐1,2,3‐oxathiazin‐3‐ide dihydrate, [Zn(C6H14N2)2(H2O)2](C4H4NO4S)2·2H2O, (II), are two‐dimensional hydrogen‐bonded supramolecular complexes. In (I), the CuII ion resides on a centre of symmetry in a neutral complex, in a tetragonally distorted octahedral coordination environment comprising four amine N atoms from cyclohexane‐1,2‐diamine ligands and two N atoms of two acesulfamate ligands. Intermolecular N—H...O and C—H...O hydrogen bonds produce R22(12) motif rings which lead to two‐dimensional polymeric networks. In contrast, the ZnII ion in (II) resides on a centre of symmetry in a complex dication with a less distorted octahedral coordination environment comprising four amine N atoms from cyclohexane‐1,2‐diamine ligands and two O atoms from aqua ligands. In (II), an extensive two‐dimensional network of N—H...O, O—H...O and C—H...O hydrogen bonds includes R21(6) and R44(16) motif rings.  相似文献   

17.
N,N′‐Bis(4‐pyridylmethyl)oxalamide, C14H14N4O2, exists as a dimer which is extended into a two‐dimensional network with other dimers through pyridine–amide hydrogen bonds. The crystal structure of the title coordination polymer, {[CoCl2(C14H14N4O2)]·0.5H2O}n, features a one‐dimensional zigzag chain, in which the cobalt ion sits at a twofold symmetry position and adopts a tetrahedral geometry, and the bridging ligand lies on an inversion center and connects to CoII ions in a bis‐monodentate mode. Furthermore, two interwoven chains create a cavity of ca 8.6 × 8.6 Å, which produces a three‐dimensional channel. Water molecules are held in the channel by hydrogen bonds.  相似文献   

18.
The crystal structures of the title compounds, ammonium risedronate dihydrate, NH4+·C7H10NO7P2·2H2O, (I), and potassium risedronate dihydrate, K+·C7H10NO7P2·2H2O, (II), have been determined from single‐crystal X‐ray data collected at 120 K. Compound (I) forms a three‐dimensional hydrogen‐bonded network which connects the ammonium and risedronate ions and the water mol­ecules. In compound (II), the K+ ions are seven‐coordinated in a capped distorted trigonal prism. The coordination polyhedra form chains by corner‐sharing, and these chains are connected by phosphon­ate groups into layers in the ac plane. The layers are stacked and connected by hydrogen bonds in the b direction. The risedronate conformation is determined by intra­molecular inter­actions fine‐tuned by crystal packing effects. All H‐atom donors in both structures are involved in hydrogen bonding, with DA distances between 2.510 (2) and 3.009 (2) Å.  相似文献   

19.
The title copper(II) complex, {[CuCl(C15H16N4O2)]Cl·0.61H2O}n, is a one‐dimensional zigzag coordination polymer structure extending along the (010) direction. The CuII atom has a square‐pyramidal geometry, where the basal plane is formed by two cis N atoms and one O atom from the ligand, and by a Cl atom. The apical position is occupied by a carbonyl O atom from a symmetry‐related molecule. In the crystal structure, there are O—H...Cl and N—H...Cl hydrogen bonds, which link parallel polymer chains along the c direction, so building a two‐dimensional structure via the interstitial Cl atoms.  相似文献   

20.
The title compound, [Co(C7H5O3)2(C6H6N2O)2(H2O)2], forms a three‐dimensional hydrogen‐bonded supramolecular structure. The CoII ion is in an octahedral coordination environment comprising two pyridyl N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(8), R22(12) and R22(14) rings, which lead to two‐dimensional chains. An extensive three‐dimensional supramolecular network of C—H...O, N—H...O and O—H...O hydrogen bonds and C—H...π interactions is responsible for crystal structure stabilization. This study is an example of the construction of a supramolecular assembly based on hydrogen bonds in mixed‐ligand metal complexes.  相似文献   

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