catena-Poly[[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-benzene-1,4-dicarboxylato]

2007 ◽  
Vol 63 (11) ◽  
pp. m2726-m2726 ◽  
Author(s):  
Chang-Kun Xia ◽  
Wen Wu ◽  
Qiu-Yun Chen ◽  
Ji-Min Xie
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Chain Structure ◽  
Octahedral Coordination ◽  
Pyridyl Ring ◽  
Zigzag Chain ◽  
Coordination Environment ◽  
Π Interactions

In the title coordination polymer, [Co(C8H4O4)(C12H9N3)] n , the CoII atom exists in an octahedral coordination environment formed by four carboxylate O atoms from two benzene-1,4-dicarboxylate ligands, and two N atoms from the 2-(2-pyridyl)benzimidazole ligand. Bridging by the benzene-1,4-dicarboxylate ligand leads to a zigzag chain structure, and intermolecular N—H...O hydrogen bonds as well as π–π interactions between the pyridyl ring and the benzene ring of the 2-(2-pyridyl)benzimidazole ligand (centroid–centroid distances = 3.678 and 3.697 Å) link the chains into a three-dimensional framework.

scholarly journals Bis[tris(propane-1,3-diamine-κ2N,N′)nickel(II)] diaquabis(propane-1,3-diamine-κ2N,N′)nickel(II) hexabromide dihydrate

2014 ◽  
Vol 70 (6) ◽  
pp. m227-m228 ◽  
Author(s):  
Aymen Yangui ◽  
Walid Rekik ◽  
Slim Elleuch ◽  
Younes Abid
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
General Position ◽  
Three Dimensional ◽  
The Other ◽  
Octahedral Coordination ◽  
Water Molecules ◽  
Coordination Environment ◽  
Lattice Water ◽  
Dimensional Network

In the title compound, [Ni(C3H10N2)3]2[Ni(C3H10N2)2(H2O)2]Br6·2H2O, one Ni2+cation, located on an inversion centre, is coordinated by four N atoms from two ligands and by two water O atoms. The other Ni2+cation, located in a general position, is coordinated by six N atoms from three ligands. In both cases, the Ni2+cation has an octahedral coordination environment. The overall structural cohesion is ensured by three types of hydrogen bonds, N—H...Br, O—H...Br and O—H...O, which connect the two types of complex cations, the bromide counter-anions and the lattice water molecules into a three-dimensional network.

scholarly journals Crystal structure of tetraaquabis(8-chloro-9,10-dioxo-9,10-dihydroanthracene-1-carboxylato-κO1)cobalt(II) dihydrate

2014 ◽  
Vol 70 (10) ◽  
pp. m357-m358
Author(s):  
Wen-Juan Cai ◽  
Bo Liu ◽  
Feng-Yi Liu ◽  
Jun-Feng Kou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Organic Ligands ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Carboxylate Anions

In the title complex, [Co(C15H6ClO4)2(H2O)4]·2H2O, the CoIIion is bound by two carboxylate O atoms of two 5-chloro-9,10-anthraquinone-1-carboxylate anions and four water O atoms in atransconformation, forming an irregular octahedral coordination geometry. This arrangement is stabilized by intramolecular O—H...O hydrogen bonds between water and carboxylate. Further O—H...O hydrogen bonds between coordinating and non-coordinating water and carboxylate produce layers of molecules that extend parallel to (001). The organic ligands project above and below the plane. Those ligands of adjacent planes are interdigitated and there are π–π interactions between them with centroid–centroid distances of 3.552 (2) and 3.767 (2) Å that generate a three-dimensional supramolecular structure.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals catena-Poly[[trimethyltin(IV)]-μ-3,4-difluorobenzeneseleninato-κ2O:O′]

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Chunhua Fu ◽  
Rufen Zhang ◽  
Mao Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Sodium Ethoxide ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Π Interactions ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Trimethyltin Chloride

The title compound, [Sn(CH3)3(C6H3F2O2Se)]n, was prepared by treatment of 3,4-difluorobenzeneseleninic acid and trimethyltin chloride with sodium ethoxide in methanol. In the polymeric crystal structure, infinite chains, with the SnIVatom in a trigonal–bipyramidal C3O2coordination environment involving methyl ligands and the bridging 3,4-difluorobenzeneseleninate anion, are present. The chains extend parallel to [010] and are linked through slipped π–π interactions and weak C—H...O hydrogen bonds into a three-dimensional network.

scholarly journals N′-[(E)-4-Chlorobenzylidene]-2-(2,3-dimethylanilino)benzohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Evan M. Dunkley ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Π Interactions ◽  
Compound C

In the title compound, C22H20ClN3O, the dihedral angle between the planes of the chlorophenyl and dimethylphenyl rings is 66.50 (9)°. These rings make dihedral angles 47.79 (8) and 69.24 (9)°, respectively, with the central benzene ring. In the crystal, molecules are linked into a three-dimensional supramolecular network by N—H...O, C—H...O hydrogen bonds and weak C—H...π interactions.

scholarly journals 1,3-Bis{(E)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation via an O—H...N hydrogen bond

2017 ◽  
Vol 73 (6) ◽  
pp. 813-816
Author(s):  
Augusto Rivera ◽  
Ingrid Miranda-Carvajal ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Lone Electron Pair ◽  
Three Dimensional ◽  
Chain Structure ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The One

The asymmetric unit of the title compound, C21H28N4O, consists of two unique molecules linked by an O—H...N hydrogen bond. The conformation of both C=N bonds is E and the azomethine functional groups lie close to the plane of their associated benzene rings in each of the independent molecules. The dihedral angles between the two benzene rings are 83.14 (4) and 75.45 (4)°. The plane of the one of the N(CH3)2 units is twisted away from the benzene ring by 18.8 (2)°, indicating loss of conjugation between the lone electron pair and the benzene ring. In the crystal structure, O—H...N hydrogen bonds together with C—H...O hydrogen bonds link neighbouring supramolecular dimers into a three-dimensional network.

A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione

2019 ◽  
Vol 75 (9) ◽  
pp. 1243-1249
Author(s):  
Jun Zhang ◽  
Xiaofan Ma ◽  
Weili Kong ◽  
Fazhi Xie ◽  
Shizhen Yuan ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chain Structure ◽  
The Other ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
The One

The sulfur coordination polymer catena-poly[zinc(II)-μ2-bis[5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ2 N 3:S]], [Zn(C3H3N2S3)2] n or [Zn2MTT4] n , constructed from Zn2+ ions and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione (HMTT), was synthesized successfully and structurally characterized. [Zn2MTT4] n crystallizes in the tetragonal space group I\overline{4} (No. 82). Each MTT− ligand (systematic name: 5-methylsulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ide) coordinates to two different ZnII ions, one via the thione group and the other via a ring N atom, with one ZnII atom being in a tetrahedral ZnS4 and the other in a tetrahedral ZnN4 coordination environment. These tetrahedral ZnS4 and ZnN4 units are alternately linked by the organic ligands, forming a one-dimensional chain structure along the c axis. The one-dimensional chains are further linked via C—H...N and C—H...S hydrogen bonds to form a three-dimensional network adopting an ABAB-style arrangement that lies along both the a and b axes. The three-dimensional Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots confirm the major interactions as C—H...S hydrogen bonds with a total of 35.1%, while 7.4% are C—H...N hydrogen-bond interactions. [Zn2MTT4] n possesses high thermal and chemical stability and a linear temperature dependence of the bandgap from room temperature to 270 °C. Further investigation revealed that the bandgap changes sharply in ammonia, but only fluctuates slightly in other solvents, indicating its promising application as a selective sensor.

scholarly journals 4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2376-o2377
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C17H17BrN2O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to which it is attached, the CCN—C—CPh—CPhtorsion angle being −101.3 (7)°. The cyclohexene ring is disordered over two conformations in a statistical ratio. The most prominent interactions in the crystal are pairs of N—H...O hydrogen bonds between inversion-related molecules. The resulting dimers are linked into a three-dimensional architecture by C—H...N, C—H...Br and C—H...π interactions.

Ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)nicotinate

2007 ◽  
Vol 63 (11) ◽  
pp. o4320-o4320
Author(s):  
Qing-Yun Ren ◽  
Hong-Wu He ◽  
Yong-Yan Yao ◽  
Yu-Cheng Gu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Framework Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Stability

In the title compound, C16H14N4O5, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing.

scholarly journals 2-Oxo-2H-chromen-3-yl 4-tert-butylbenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Konan René Kambo ◽  
Siaka Sosso ◽  
Abdoulaye Djandé ◽  
Rita Kakou-Yao ◽  
Abodou Jules Tenon
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Coumarin Derivative ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Chromene Ring

In the title coumarin derivative, C20H18O4, the benzene ring of the benzoate group is oriented at a dihedral angle of 57.55 (9)° with respect to the planar chromene ring system [maximum deviation from plane is 0.027 (2) Å]. In the crystal, inversion-related molecules are linked into dimers via C—H...O hydrogen bonds, generating R 2 2(12) loops. The dimers are linked by further C—H...O hydrogen bonds forming layers, parallel to the bc plane, which are linked via C—H...π interactions, forming a three-dimensional framework

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