scholarly journals catena-Poly[(chloridozinc)-μ-5-(1-methyl-1H-benzimidazol-2-yl-κN3)-1,2,3-triazol-1-ido-κ2N1:N3]

2012 ◽  
Vol 68 (4) ◽  
pp. m520-m520
Author(s):  
Chen-Guang Sun ◽  
Ji-Rong Song
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Helical Chain ◽  
Supramolecular Network ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Centroid Distance ◽  
Cl Atom

In the title complex, [Zn(C10H8N5)Cl]n, the ZnIIion is four-coordinated by one Cl atom and three N atoms from twoin situ-generated deprotonated 5-(1-methyl-1H-benzimidazol-2-yl-κN3)-1,2,3-triazol-1-ide ligands in a slightly distorted tetrahedral geometry. The ZnIIions are bridged by the ligands, forming a helical chain along [001]. C—H...N and C—H...Cl hydrogen bonds and π–π interactions between the imidazole rings [centroid–centroid distance = 3.4244 (10) Å] assemble the chains into a three-dimensional supramolecular network.

scholarly journals A one-dimensional HgIIcoordination polymer based on bis(pyridin-3-ylmethyl)sulfane

2017 ◽  
Vol 73 (12) ◽  
pp. 1871-1874
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Central Atom ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Zigzag Chain ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
Centroid Distance ◽  
The One

The reaction of mercury(II) chloride with bis(pyridin-3-ylmethyl)sulfane (L, C12H12N2S) in methanol afforded the title crystalline coordination polymercatena-poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′], [HgCl2L]n. The asymmetric unit consists of one HgIIcation, oneLligand and two chloride anions. Each HgIIion is coordinated by two pyridine N atoms from separateLligands and two chloride anions. The metal adopts a highly distorted tetrahedral geometry, with bond angles about the central atom in the range 97.69 (12)–153.86 (7)°. EachLligand bridges two HgIIions, forming an infinite –(Hg–L)n– zigzag chain along thebaxis, with an Hg...Hg separation of 10.3997 (8) Å. In the crystal, adjacent chains are connected by intermolecular C—H...Cl hydrogen bonds, together with Hg—Cl...π interactions [chloride-to-centroid distance = 3.902 (3) Å], that form between a chloride anion and the one of the pyridine rings ofL, generating a two-dimensional layer extending parallel to (101). These layers are further linked by intermolecular C—H...π hydrogen bonds, forming a three-dimensional supramolecular network.

scholarly journals Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl

2015 ◽  
Vol 71 (10) ◽  
pp. 1185-1189
Author(s):  
Amira Derbel ◽  
Tahar Mhiri ◽  
Mohsen Graia
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Apical Position ◽  
Acta Cryst ◽  
Coordination Environment ◽  
Centroid Distance ◽  
Orthorhombic Cell ◽  
Vibrational Bands ◽  
Cl Atom

In the title complex, chloridotetrakis(1H-imidazole-κN3)cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the CoIIcation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepaet al.(2012).J. Mol. Struct.1028, 49–56] and [Cu(Im)4Br]Br [Hossaini Sadret al.(2004).Acta Cryst. E60, m1324–m1326]. In the crystal, the [CoCl(C3H4N2)4]+cations and Cl−anions are linkedviaN—H...Cl hydrogen bonds, forming layers parallel to (010). These layers are linkedviaC—H...Cl hydrogen bonds and C—H...π and π–π [inter-centroid distance = 3.794 (2) Å] interactions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an orthorhombic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1).

scholarly journals 3,5-Dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
K. Shakuntala ◽  
N. K. Lokanath ◽  
S. Naveen ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Halogen Bonds ◽  
Axis Direction ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Cl Atom

The molecule of the title compound, C12H7Cl4NO2S, is U-shaped, with the central C—S—N—C segment having a torsion angle of −58.7 (3)°. The dihedral angle between the benzene rings is 40.23 (2)°. Further, the ortho Cl atom on the aniline ring is syn to the N—H bond in the central –C—S(O2)—NH—C– segment. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers that enclose R 2 2(8) loops. These dimers are linked by C—H...O hydrogen bonds that form a double C(7) chain propagating along the b-axis direction. These chains are further consolidated by Cl...Cl halogen bonds [3.4331 (2) Å]. π–π contacts [centroid–centroid distance = 3.6574 (19) Å] between the aniline rings link adjacent chains into a three-dimensional supramolecular network with molecules stacked along the b-axis direction.

scholarly journals Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ2N3,O]cobalt(II)

2014 ◽  
Vol 70 (11) ◽  
pp. m363-m364 ◽  
Author(s):  
Yan Fan ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title CoIIcomplex, [Co(C13H8BrN2O)2], contains two independent molecules (AandB). In both molecules, the CoIIcation isN,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In moleculeA, both chelating rings display an envelope conformation, with the flap Co atom lying 0.614 (6) and 0.483 (6) Å from the mean planes of the remaining atoms. In moleculeB, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, molecules are linked by classical N—H...O hydrogen bonds and weak C—H...O and C—H...Br hydrogen bonds into a three-dimensional supramolecular network. Extensive π–π stacking is observed between nearly parallel aromatic rings of adjacent molecules with centroid–centroid distances in the range 3.407 (3)–3.850 (4) Å.

scholarly journals Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)]

2015 ◽  
Vol 71 (2) ◽  
pp. m44-m45 ◽  
Author(s):  
Sujirat Boonlue ◽  
Anchalee Sirikulkajorn ◽  
Kittipong Chainok
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Bidentate Ligand ◽  
Planar Geometry ◽  
Supramolecular Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Cl Atom

The racemic title compound, [Cu2(C7H8NO2)2Cl2], is composed of dinuclear molecules in which methoxy(pyridin-2-yl)methanolate ligands bridge two symmetry-related CuIIions. Each CuIIion is coordinated in a square-planar geometry by one Cl atom, the N and O atoms of the bidentate ligand and the bridging O atom of the centrosymmetrically related bidentate ligand. The separation between the two CuIIatoms is 3.005 (1) Å. In the crystal, non-classical C—H...O hydrogen bonds, weak π–π stacking [centroid–centroid distance = 4.073 (1) Å] and weak electrostatic Cu...Cl interactions [3.023 (1) Å] link the dinuclear molecules into chains running parallel to thebaxis. These chains are further connected by weak C—H...Cl hydrogen bonds directed approximately along theaaxis, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer:catena-poly[[silver(I)-bis{μ-4-[1-(5′-isopropyl-[1,1′:3′,1′′-terphenyl]-2′-yl)-1H-imidazol-2-yl]pyridine-κ2N:N′}] nitrate methanol monosolvate monohydrate]

2016 ◽  
Vol 72 (7) ◽  
pp. 972-975
Author(s):  
Suk-Hee Moon ◽  
Ki-Min Park ◽  
Youngjin Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chain Structure ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
Distorted Tetrahedral Geometry ◽  
Centroid Distance

In the title compound, {[Ag(C29H25N3)2]NO3·CH3OH·H2O}n, the AgIcation is four-coordinated by two pyridine N atoms and two imidazole N atoms from four individual 4-(1-(5′-isopropyl-[1,1′:3′,1′′-terphenyl]-2′-yl)-1H-imidazol-2-yl)pyridine (i-pro-pyim) ligands. This gives rise to a highly distorted tetrahedral geometry with bond angles falling in the range 100.33 (19)–122.76 (19)°. Two crystallographically independenti-pro-pyim ligands (AandB) adopt very similar conformations to one another, such that the dihedral angles between the pyridyl and imidazolyl rings in the two ligands are 40.7 (3) and 42.2 (3)°, respectively. Eachi-pro-pyim ligand binds two symmetry-related Ag+cations, leading to the formation of 14-membered cyclic dimers, in which the AgIatoms are separated by 6.963 (2) Å for the Ag–A2–Ag dimer and 7.020 (2) Å for Ag–B2–Ag. These cyclic dimers are alternately connected to each other by sharing AgIatoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by intermolecular π–π interactions [centroid-to-centroid distance = 3.689 (4) Å], giving rise to the formation of a two-dimensional supramolecular network propagating parallel to (110). Several intermolecular C—H...O and O—H...O hydrogen bonds further contribute to the stabilization of the crystal structure.

scholarly journals Crystal structure of bis[2-(benzothiazol-2-yl)phenolato-κ2N,O]copper(II)

2015 ◽  
Vol 71 (9) ◽  
pp. m173-m174 ◽  
Author(s):  
Namhun Kim ◽  
Sung Kwon Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Dihedral Angles ◽  
Planar Geometry ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry

In the title complex, [Cu(C13H8NOS)2], the CuIIatom is coordinated by two N atoms and two O atoms from two bidentate benzothiazolphenolate ligands, forming a distorted tetrahedral geometry [dihedral angle between two N—Cu—O planes: 45.1 (2)°]. The dihedral angles between the benzothiazole ring systems and the phenol rings are 4.1 (4) and 5.8 (4)°, indicating an almost planar geometry. Weak intra- and intermolecular C—H...O hydrogen bonds are observed. In the crystal, weak π–π interactions between aromatic and thiazole rings [centroid–centroid distances = 3.626 (3) and 3.873 (3) Å] link the molecules into a two-dimensional supramolecular network along thebcplane.

Bis[4-fluoro-N-(quinolin-8-yl)benzenesulfonamidato-κ2 N,N′]zinc(II) hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. m1719-m1721 ◽  
Author(s):  
Luiz Everson da Silva ◽  
Antonio Carlos Joussef ◽  
Sabine Foro ◽  
Boris Schmidt
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Tetrahedral Geometry ◽  
Special Position ◽  
Twofold Axis ◽  
Distorted Tetrahedral Geometry ◽  
Dimensional Network

In the title compound, [Zn(C15H10FN2O2 S)2]·0.5H2O, the Zn atom has a distorted tetrahedral geometry, formed by the N atoms of the quinoline and the sulfonamide groups. The water molecule occupies a special position on a twofold axis. Intermolecular C—H...O hydrogen bonds to the sulfonyl O atoms link the molecules into a three-dimensional network.

scholarly journals Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
C.Vidya Rani ◽  
L. Mitu ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Title Complex ◽  
Dihedral Angles ◽  
Minor Components ◽  
Tetrahedral Geometry ◽  
Acta Cryst ◽  
Distorted Tetrahedral Geometry ◽  
Benzene Rings

In the title complex, [Co(C25H35N2O)2], the cobalt(II) atom has a distorted tetrahedral geometry provided by pairs of O and N atoms. The dihedral angles between the benzene rings of the same ligand are 52.39 (9) and 34.96 (9)°. The molecular structure is stabilized by weak intramolecular C—H...O hydrogen bonds. The crystal packing is stabilized mainly by van der Waals forces. The structure contains a solvent-accessible void of 276 Å3which was treated using the SQUEEZE routine fromPLATON[Spek (2015).Acta Cryst.C71, 9–18]. The methyl C atoms of thetert-butyl groups are rotationally disordered, with site occupancies of 0.802 (3) and 0.548 (9) for the major components and 0.198 (3) and 0.452 (9) for the minor components.

scholarly journals Bis(N′-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (7) ◽  
pp. 1001-1008 ◽  
Author(s):  
Ming Yueh Tan ◽  
Karen A. Crouse ◽  
Thahira B. S. A. Ravoof ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Hirshfeld Surfaces ◽  
Phenyl Rings ◽  
The Impact ◽  
Dimeric Aggregates

The title ZnIIcomplex, [Zn(C18H18N3S)2], (I), features two independent but chemically equivalent molecules in the asymmetric unit. In each, the thiosemicarbazonate monoanion coordinates the ZnIIatomviathe thiolate-S and imine-N atoms, with the resulting N2S2donor set defining a distorted tetrahedral geometry. The five-membered ZnSCN2chelate rings adopt distinct conformations in each independent molecule,i.e.one ring is almost planar while the other is twisted about the Zn—S bond. In the crystal, the two molecules comprising the asymmetric unit are linked by amine-N—H...N(imine) and amine-N—H...S(thiolate) hydrogen bondsviaan eight-membered heterosynthon, {...HNCN...HNCS}. The dimeric aggregates are further consolidated by benzene-C—H...S(thiolate) interactions and are linked into a zigzag supramolecular chain along thecaxisviaamine-N—H...S(thiolate) hydrogen bonds. The chains are connected into a three-dimensional architectureviaphenyl-C—H...π(phenyl) and π–π interactions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different interactions formed by the independent molecules in the crystal and the impact of the π–π interactions between chelate and phenyl rings.

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