scholarly journals catena-Poly[[[(2,2′-bipyridine-κ2N,N′)manganese(II)]-μ-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-κ4O1,O6:O3,O4] ethanol disolvate]

2013 ◽  
Vol 69 (2) ◽  
pp. m119-m120 ◽  
Author(s):  
Yuji Nishimura ◽  
Akiko Himegi ◽  
Akira Fuyuhiro ◽  
Shinya Hayami ◽  
Satoshi Kawata
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Zigzag Chain ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bridging Ligand ◽  
Π Stacking ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title coordination polymer, {[Mn(C6Cl2O4)(C10H8N2)]·2C2H5OH}n, consists of one MnIIion, one 2,2′-bipyridine (bpy) ligand, one chloranilate (CA2−) ligand and two ethanol solvent molecules. The MnIIion is octahedrally coordinated by two N atoms of one bpy ligand and four O atoms of two chloranilate ions. The chloranilate ion serves as a bridging ligand between the MnIIions, leading to an infinite zigzag chain along [101]. π–π stacking interactions [centroid–centroid distance = 4.098 (2) Å] is observed between the pyridine rings of adjacent chains. The ethanol molecules act as accepters as well as donors for O—H...O hydrogen bonds, and form a hydrogen-bonded chain along theaaxis. The H atoms of the hydroxy groups of the two independent ethanol molecules are each disordered over two sites with equal occupancies.

scholarly journals Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ4N]iron(II)

2014 ◽  
Vol 70 (2) ◽  
pp. m35-m35
Author(s):  
Jing-Wei Dai ◽  
Zhao-Yang Li ◽  
Osamu Sato
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Π Stacking ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Amine Ligand

In the title complex, [Fe(NCS)2(C18H18N4)], the FeIIcation is chelated by a tris(2-pyridylmethyl)amine ligand and coordinated by two thiocyanate anions in a distorted N6octahedral geometry. In the crystal, weak C—H...S hydrogen bonds and π–π stacking interactions between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.653 (3) Å] link the molecules into a two-dimensional supramolecular architecture. The structure contains voids of 124 (9) Å3, which are free of solvent molecules.

scholarly journals catena-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole-κ2N1,N5](dicyanamido-κN)copper(II)]-μ2-dicyanamido-κ2N:N′]: coordination polymer chains linked into a bilayer by hydrogen bonds and π–π stacking interactions

2014 ◽  
Vol 70 (4) ◽  
pp. 359-363 ◽  
Author(s):  
Zouaoui Setifi ◽  
Fatima Setifi ◽  
Mohamed Saadi ◽  
Djamil-Azzeddine Rouag ◽  
Christopher Glidewell
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Polymer Chains ◽  
Stacking Interactions ◽  
Terminal Ligand ◽  
One Dimensional ◽  
Bridging Ligand ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Square Pyramidal Geometry

In the title compound, [Cu(C2N3)2(C12H10N6)]nor [Cu(dca)2(abpt)]n, where abpt is 4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole and dca is the dicyanamide anion, the CuIIcentre is five-coordinate with an approximately square-pyramidal geometry. One of the two dicyanamide ligands is a terminal ligand, but the other one acts as a μ1,5-bridging ligand between pairs of CuIIcentres, so generating a one-dimensional coordination polymer. A combination of N—H...N and C—H...N hydrogen bonds, augmented by π–π stacking interactions, links the coordination polymer chains into a bilayer structure. Comparisons are made with some related CuIIcomplexes containing dca ligands and heteroaromatic co-ligands.

scholarly journals 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1802-o1802 ◽  
Author(s):  
Bi Jing ◽  
Yuao-Chao Du ◽  
Ai-Xin Zhu
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The molecule of the title compound, C4H7N3S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one molecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running along the a axis. π–π stacking interactions between the triazole rings [centroid–centroid distance = 3.740 (1) Å and interplanar distance = 3.376 Å] may further stabilize the structure.

scholarly journals A new polymorph of 5,5′-(ethane-1,2-diyl)bis(1H-tetrazole)

2012 ◽  
Vol 68 (4) ◽  
pp. o989-o989 ◽  
Author(s):  
Cheng-Fang Qiao ◽  
Chun-Sheng Zhou ◽  
Qing Wei ◽  
Zheng-Qiang Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The asymmetric unit of the title compound, C4H6N8, contains a quarter of the molecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits intermolecular N—H...N hydrogen bonds and π–π stacking interactions between the tetrazole rings of adjacent molecules [centroid–centroid distance = 3.4402 (10) Å].

Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone

2013 ◽  
Vol 69 (2) ◽  
pp. 150-155 ◽  
Author(s):  
Ligia R. Gomes ◽  
John Nicolson Low ◽  
James L. Wardell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
Zigzag Chain ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Π Stacking ◽  
Independent Molecules

Isomeric 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone, C13H10BrN3O3, both crystallize with two molecules in the asymmetric unit. In both isomers, an intramolecular O—H...N hydrogen bond links the hydroxy group and the imine N atom. In the 5-bromo-3-nitro isomer, there are two independent N—H...O hydrogen-bonded chains, each molecule in the asymmetric unit forming its own chain. These chains are then linked to form a three-dimensional framework by a combination of weak C—H...O, C—H...Br, C—H...π and π–π stacking interactions. In the 3-bromo-5-nitro isomer, N—H...O hydrogen bonds link the independent molecules alternately into a zigzag chain, which is reinforced by a weak C—H...O interaction. Individual chains are linked by a C—H...Br interaction and a three-dimensional framework is generated by π–π stacking interactions.

scholarly journals Crystal structure of a CoIIcoordination polymer with a dipyridyl ligand:catena-poly[[bis(nitrato-κ2O,O′)cobalt(II)]-μ-N-(pyridin-2-ylmethyl)pyridine-3-amine-κ3N,N′:N′′]

2017 ◽  
Vol 73 (11) ◽  
pp. 1696-1699
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Basal Plane ◽  
Cobalt Atom ◽  
Pentagonal Bipyramid ◽  
Zigzag Chain ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Centroid Distance ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Co(NO3)2L]n,L=N-(pyridine-2-ylmethyl)pyridine-3-amine (C11H11N3), contains one CoIIcentre, two nitrate anions and oneLligand in which the Cpy—C—N—Cpymoiety adopts atransconformation with a torsion angle of −173.1 (3) Å. The coordination geometry of the CoIIatom is a distorted pentagonal bipyramid. One amine N atom from theLligand and four O atoms from two η2-nitrato ligands form the basal plane and two pyridyl N atoms from two symmetry-relatedLligands occupy the apical positions [N—Co—N = 171.86 (11)°]. The displacement of the central CoIIatom from the basal plane (r.m.s. deviation = 0.085 Å) is 0.1491 (12) Å. Each bidentate nitrate group is bonded asymmetrically to the cobalt atom in an chelating fashion. The CoIIions are linked by theLligands to form a zigzag chain propagating along thec-axis direction. Within the zigzag chain, C—H...O hydrogen bonds between the ligands and the nitrate anions are observed. Adjacent zigzag chains are connectedviaintermolecular π–π stacking interactions [centroid-to-centroid distance = 3.844 (2) Å] between the pyridine rings together with N/C—H...O hydrogen bonds.

scholarly journals Crystal structure of a twisted-ribbon type double-stranded AgIcoordination polymer:catena-poly[[silver(I)-μ3-bis(pyridin-3-ylmethyl)sulfane-κ3N:N′:S] nitrate]

2017 ◽  
Vol 73 (10) ◽  
pp. 1587-1589 ◽  
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Three Dimensional ◽  
Polymer Chains ◽  
Zigzag Chain ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Parallel Chain ◽  
Π Stacking ◽  
Centroid Distance ◽  
Nitrate Anions ◽  
Coordination Plane

The asymmetric unit in the title compound, {[Ag(C12H12N2S)]·NO3}nor {[AgL]·NO3}n,L= bis(pyridin-3-ylmethyl)sulfane, consists of an AgIcation bound to a pyridine N atom of anLligand and an NO3−anion that is disordered over two orientations in an 0.570 (17):0.430 (17) occupancy ratio. Each AgIcation is coordinated by two pyridine N atoms from adjacentLligands to form an infinite zigzag chain along [110]. In addition, each AgIion binds to an S donor from a thirdLligand in an adjacent parallel chain, resulting in the formation of a twisted-ribbon type of double-stranded chain propagating along the [110] or [1-10] directions. The AgIatom is displaced out of the trigonal N2S coordination plane by 0.371 (3) Å because of interactions between the AgIcation and O atoms of the disordered nitrate anions. Intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.824 (3) Å] occur between one pair of corresponding pyridine rings in the double-stranded chain. In the crystal, the double-stranded chains are alternately stacked along thecaxis with alternate stacks linked by intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.849 (3) Å], generating a three-dimensional supramolecular architecture. Weak intermolecular C—H...O hydrogen bonds between the polymer chains and the O atoms of the nitrate anions also occur.

scholarly journals Di-μ-chlorido-bis[(2,2′-bipyridine-5,5′-dicarboxylic acid-κ2N,N′)chloridocopper(II)] dimethylformamide tetrasolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m73-m74 ◽  
Author(s):  
Sigurd Øien ◽  
David Stephen Wragg ◽  
Karl Petter Lillerud ◽  
Mats Tilset
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Cooh Group ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Hydrogen Bonded

In the title compound, [Cu2Cl4(C12H8N2O4)2]·4C3H7NO, which contains a chloride-bridged centrosymmetric CuIIdimer, the CuIIatom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2′-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethylformamide molecules, one is hydrogen bonded to a single –COOH group, while one links two adjacent –COOH groupsviaa strong accepted O—H...O and a weak donated C(O)—H...O hydrogen bond. Two of these last molecules and the two –COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the –COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the CuIIcomplex molecules and the dimethylformamide solvent molecules into infinite chains along [-111]. Slipped π–π stacking interactions between two centrosymmetric pyridine rings (centroid–centroid distance = 3.63 Å) contribute to the coherence of the structure along [0-11].

Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I...O interactions and aromatic π...π stacking interactions

2001 ◽  
Vol 58 (1) ◽  
pp. 94-108 ◽  
Author(s):  
Craig J. Kelly ◽  
Janet M. S. Skakle ◽  
James L. Wardell ◽  
Solange M. S. V. Wardell ◽  
John N. Low ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Space Group ◽  
Rotation Axes ◽  
Π Stacking ◽  
Structural Database ◽  
A Chain

Molecules of N-(4′-iodophenylsulfonyl)-4-nitroaniline, 4-O2NC6H4NHSO2C6H4I-4′ (1), are linked by three-centre I...O2N interactions into chains and these chains are linked into a three-dimensional framework by C—H...O hydrogen bonds. In the isomeric N-(4′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4NHSO2C6H4NO2-4′ (2), the chains generated by the I...O2N interactions are again linked into a three-dimensional framework by C—H...O hydrogen bonds. Molecules of N,N-bis(3′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4N(SO2C6H4NO2-3′)2 (3), lie across twofold rotation axes in space group C2/c and they are linked into chains by paired I...O=S interactions: these chains are linked into sheets by a C—H...O hydrogen bond, and the sheets are linked into a three-dimensional framework by aromatic π...π stacking interactions. In N-(4′-iodophenylsulfonyl)-3-nitroaniline, 3-O2NC6H4NHSO2C6H4I-4′ (4), there are R^2_2(8) rings formed by hard N—H...O=S hydrogen bonds and R^2_2(24) rings formed by two-centre I...nitro interactions, which together generate a chain of fused rings: the combination of a C—H...O hydrogen bond and aromatic π...π stacking interactions links the chains into sheets. Molecules of N-(4′-iodophenylsulfonyl)-4-methyl-2-nitroaniline, 4-CH3-2-O2NC6H3NHSO2C6H4I-4′ (5), are linked by N—H...O=S and C—H...O(nitro) hydrogen bonds into a chain containing alternating R^2_2(8) and R^2_2(10) rings, but there are no I...O interactions of either type. There are two molecules in the asymmetric unit of N-(4′-iodophenylsulfonyl)-2-nitroaniline, 2-O2NC6H4NHSO2C6H4I-4′ (6), and the combination of an I...O=S interaction and a hard N—H...O(nitro) hydrogen bond links the two types of molecule to form a cyclic, centrosymmetric four-component aggregate. C—H...O hydrogen bonds link these four-molecule aggregates to form a molecular ladder. Comparisons are made with structures retrieved from the Cambridge Structural Database.

scholarly journals Crystal structure of a looped-chain CoIIcoordination polymer:catena-poly[[bis(nitrato-κO)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′]]

2017 ◽  
Vol 73 (11) ◽  
pp. 1700-1703 ◽  
Author(s):  
Suk-Hee Moon ◽  
Joobeom Seo ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Ring Centroid ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Co(NO3)2(C12H12N2S)2]n, contains a bis(pyridin-3-ylmethyl)sulfane (L) ligand, an NO3−anion and half a CoIIcation, which lies on an inversion centre. The CoIIcation is six-coordinated, being bound to four pyridine N atoms from four symmetry-relatedLligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the CoIIcentre adopts a distorted octahedral geometry. Two symmetry-relatedLligands are connected by two symmetry-related CoIIcations, forming a 20-membered cyclic dimer, in which the CoIIatoms are separated by 10.2922 (7) Å. The cyclic dimers are connected to each other by sharing CoIIatoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Intermolecular C—H...π (H...ring centroid = 2.89 Å) interactions between one pair of correspondingLligands and C—H...O hydrogen bonds between theLligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.8859 (14) Å] and C—H...π hydrogen bonds (H...ring centroid = 2.65 Å), leading to the formation of layers parallel to (101). These layers are further connected through C—H...O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supramolecular architecture.

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