scholarly journals Bis[N 5,N 7-bis(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine-5,7-diimine]cobalt(III) perchlorate acetonitrile disolvate

IUCrData ◽  
2018 ◽  
Vol 3 (5) ◽  
Author(s):  
Maciej Posel ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Rotational Symmetry ◽  
Three Dimensional ◽  
Title Complex ◽  
Pincer Ligands ◽  
Cl Atom

In the title complex, [Co(C16H10N7)2]ClO4·2CH3CN, the cation possesses twofold rotational symmetry. The CoIII ion is located on a twofold rotation axis and is octahedrally coordinated to two tridentate `pincer' ligands. The Cl atom of the perchlorate anion is located on a fourfold rotoinversion axis. In the crystal, the cations are linked via C—H...O and C—H...N hydrogen bonds involving the perchlorate anion and the solvate acetonitrile molecules. These interactions lead to the formation of a supramolecular three-dimensional framework.

scholarly journals Chloridobis(ethane-1,2-diamine)(4H-1,2,4-triazole-κN1)cobalt(III) dichloride

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Y. AaminaNaaz ◽  
S. Thirumurugan ◽  
D. Venkatesh ◽  
K. Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Title Complex ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Twist Conformation ◽  
Distorted Octahedral ◽  
Cl Atom ◽  
Ring Motif

In the title complex, [CoIIICl(C2H8N2)2(C2H3N3)]Cl2, the CoIIIion has a distorted octahedral environment. It is surrounded by four N atoms in the equatorial plane, with another N atom and a Cl atom occupying the axial positions. Both five-membered Co—N—C—C—N rings adopt a twist conformation. The Co—N bond lengths range from 1.941 (2) to 1.954 (1) Å, while the Co—Cl bond length is 2.257 (1) Å. In the crystal, molecules are linked by N—H...N, N—H...Cl and C—H...Cl hydrogen bonds. Dimers are formed by N—H...Cl hydrogen-bonding interactions between amine H-atom donors and chloride ions resulting in anR42(8) ring motif. These dimers are further connected in a head-to-tail fashionviaN—H...Cl and C—H...Cl hydrogen bonds. All the interactions together combine to link the molecules into a three-dimensional framework.

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 Crystal structure ofrac-3,9-bis(2,6-difluorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

2015 ◽  
Vol 71 (2) ◽  
pp. o127-o128 ◽  
Author(s):  
Liang Chen ◽  
Zhengyi Li ◽  
Linlin Jin ◽  
Xiaoqiang Sun ◽  
Zhiming Wang
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Rotational Symmetry ◽  
Condensation Reaction ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Compound C

The title compound, C19H16F4O4, was prepared by the condensation reaction of 2,6-difluorobenzaldehyde and pentaerythritol. The whole molecule is generated by twofold rotational symmetry. The two six-membered O-heterocycles adopt chair conformations through a shared spiro-carbon atom that is located on the crystallographic twofold rotation axis. In this conformation, the two aromatic rings are located at the equatorial positions of the O-heterocycles. The conformation of this doubly substituted tetraoxaspiro system is chiral. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming layers parallel to (100). These layers are linked by C—H...F hydrogen bonds into a three-dimensional structure.

scholarly journals Bis(2,2′-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m640-m641 ◽  
Author(s):  
Congcong Shang ◽  
Laure Vendier ◽  
Pierre Sutra ◽  
Alain Igau
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Cl Atom

In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octahedral geometry by two 2,2′-bipyridine (bpy) ligands and a chelating cationicN-diphenylphosphino-1,3,4,6,7,8-hexahydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexafluoridophosphate counter-anions. The compound crystallized with two molecules of dichloromethane (one of which is equally disordered about a Cl atom) and a water molecule. In the crystal, one of the Br anions bridges two water moleculesviaO—H...Br hydrogen bonds, forming a centrosymmetric diamond-shapedR42(8) motif. The cation and anions and the solvent molecules are linkedviaC—H...F, C—H...Br, C—H...Cl and C—H...O hydrogen bonds, forming a three-dimensional network.

3,6-Diaminoacridinium perchlorate

2007 ◽  
Vol 63 (11) ◽  
pp. o4317-o4317 ◽  
Author(s):  
Richard A. Varga ◽  
Adina Rus ◽  
Monica M. Venter ◽  
Ticuta Negreanu-Pirjol ◽  
Cornelia Guran
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Organic Cations ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Compound C ◽  
Cl Atom ◽  
Organic Fragment

The structure of the title compound, C13H12N3 +·ClO4 −, reveals a twofold axis through the ring N and para-C atoms; a twofold rotation axis also passes through the Cl atom. The structure of the organic fragment is similar to that of homologous heterocyclic systems. The organic cations and perchlorate anions self-assemble in the solid state through C—H...O and N—H...O hydrogen bonds, leading to a two-dimensional layer parallel to the (112) plane. The layers are stacked along the c axis through offset π–π interactions between cations from different layers (the distance between the planes through two cations is 3.35 Å), resulting in a three-dimensional supramolecular architecture.

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 Structural characterization and DFT study of bis{(S)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoato-κ2 N,O}(1,10-phenanthroline-κ2 N,N′)cadmium(II) tetrahydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1339-1343 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Necmi Dege ◽  
James Pogrebetsky ◽  
Turganbay S. Iskenderov
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Amino Groups ◽  
H Nmr ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen

In the title compound, [Cd(C16H16O3)2(C12H8N2)]·4H2O, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the L-tyrosine-derived ligand (S)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoic acid (L) in a κ2 N,O amino acid chelating mode, exhibiting an (N,N′)-trans disposition, and by 1,10-phenanthroline in a κ2 N,N′ mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intramolecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octahedral environment. In the crystal, O—H...O hydrogen bonds result in the formation of three-dimensional network structures. The title complex has also been characterized by IR and 1H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.

scholarly journals 4-Methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide

2014 ◽  
Vol 70 (3) ◽  
pp. o238-o239 ◽  
Author(s):  
Bilge Eren ◽  
Selçuk Demir ◽  
Hakan Dal ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Rotation Axis ◽  
Rotational Symmetry ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Phenyl Rings

The whole molecule of the title compound, C20H19NO4S2, is generated by twofold rotational symmetry. The N atom is located on the twofold rotation axis and has a trigonal-planar geometry. It is bonded by two S atoms of two symmetry-related 4-methylphenylsulfonyl groups and by the C atom of the phenyl ring, which is bisected by the twofold rotation axis. The benzene and phenyl rings are oriented at a dihedral angle of 51.48 (5)° while the pendant benzene rings are inclined to one another by 87.76 (9)°. In the crystal, weak C—H...O hydrogen bonds link the molecules, forming a three-dimensional network.

scholarly journals Bis[4-amino-N-(4-methylpyrimidin-2-yl-κN3)benzenesulfonamidato-κN](2,2′-bipyridine-κ2N,N′)mercury(II)

2014 ◽  
Vol 70 (4) ◽  
pp. m127-m128
Author(s):  
G. M. Golzar Hossain ◽  
A. J. Amoroso
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Coordination Polyhedron ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
Trigonal Prismatic

The complete molecule of the title complex, [Hg(C11H11N4O2S)2(C10H8N2)], is generated by crystallographic twofold symmetry, with the mercury cation lying on the rotation axis. The mercury coordination polyhedron can be described as tetrahedral (from theN,N′-bidenate bipyridine molecule and the sulfonamide N atoms of the sulfamerazine anions) or as squashed trigonal-prismatic, if two long (> 2.80 Å) Hg—N bonds to pyrimidine N atoms are included. The dihedral angle between the aromatic rings in the anion is 73.3 (2)°. In the crystal, N—H...(N,O) and N—H...N hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]

2015 ◽  
Vol 71 (4) ◽  
pp. 339-341 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Fatih Çelik ◽  
Nefise Dilek ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Polymeric Compound ◽  
Distorted Octahedral Coordination ◽  
Linear Chains ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the CoIIcations, forming linear chains running along theb-axis direction. Strong intramolecular O—H...O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, weak O—Hwater...Owaterhydrogen bonds link adjacent chains into layers parallel to thebcplane. The layers are linkedviaC—Hpyrazine...Oformylhydrogen bonds, forming a three-dimensional network. There are also weak C—H...π interactions present.

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