scholarly journals Chloridobis[2-(pyridin-2-yl-κN)benzo[b][1,5]naphthyridine-κN 1]copper(II) perchlorate acetonitrile disolvate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Hideki Ohtsu ◽  
Yosuke Tezuka ◽  
Michitari Narita ◽  
Kiyoshi Tsuge ◽  
Koji Tanaka
Keyword(s):  
Rotation Axis ◽  
Complex Molecule ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Cationic Complex ◽  
Rotation Symmetry ◽  
Trigonal Bipyramidal ◽  
Cl Atom ◽  
Axis Passing ◽  
Distorted Trigonal Bipyramidal

The copper(II) ion in the title complex, [CuCl(C17H11N3)2]ClO4·2CH3CN, is coordinated by four N atoms from two pbn ligands and one Cl− ion in a distorted trigonal–bipyramidal geometry (τ = 0.84). The asymmetric unit comprises half of the cationic complex molecule, and complete molecules are generated by twofold rotation symmetry with the corresponding axis running through the Cu atom and the coordinating Cl atom. The perchlorate anion is also located on a twofold rotation axis (passing through the Cl atom). In the crystal, there are π–π stacking interactions between the benzonaphthyridine rings of the pbn ligand of neighbouring cations.

Chloridobis(1,10-phenanthroline-κ2 N,N′)copper(I) hexahydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m826-m828 ◽  
Author(s):  
H. Zhong ◽  
X.-R. Zeng ◽  
X.-M. Yang ◽  
Q.-Y. Luo ◽  
S.-Z. Xiao
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Rotation Axes ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Phenanthroline Ligands ◽  
Distorted Trigonal Bipyramidal

The CuI atom in the title complex, [CuCl(C12H8N2)2]·6H2O, exists in a distorted trigonal-bipyramidal coordination geometry defined by one Cl atom and four N atoms of two 1,10-phenanthroline ligands. In the crystal structure, molecules are linked into a three-dimensional framework by O—H...O hydrogen bonds and π–π stacking interactions. Four water molecules lie on crystallographic twofold rotation axes.

scholarly journals Crystal structure of a mixed-valence μ-oxide Sn12cluster

2014 ◽  
Vol 70 (11) ◽  
pp. m378-m379 ◽  
Author(s):  
Marina M. Kireenko ◽  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Mikhail P. Egorov ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Mixed Valence ◽  
Asymmetric Unit ◽  
Coordination Numbers ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Solvent Molecules ◽  
Distorted Trigonal Bipyramidal

The mixed-valence μ-oxide Sn12cluster, decacarbonyltetra-μ4-oxido-hexa-μ3-oxido-tetrakis[μ-2,2′-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)]decatin(II)ditin(IV)dimolybdenum(O)(2Mo—Sn) toluene heptasolvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent molecules, one of which is disordered about a centre of symmetry. The complex molecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The SnIIatoms forming the central Sn10O10core adopt distorted trigonal–pyramidal, square-pyramidal and octahedral coordination geometries provided by the μ-oxide atoms and by the O- and N-donor atoms of two pyridinediethanolate ligands. The terminal SnIVatoms have distorted trigonal–bipyramidal coordination geometries, with a μ4-oxide atom and the N atom of a pyridinediethanolate ligand occupying the axial positions, and the Mo atom of a Mo(CO)5group and the alkoxy O atoms of a ligand forming the equatorial plane. In the crystal, weak intra- and intermolecular C—H...O hydrogen bonds are observed.

μ-Oxalato-κ4 O,O′:O′′,O′′′-bis[chloro(1,10-phenanthroline-κ2 N,N′)copper(II)]

2007 ◽  
Vol 63 (3) ◽  
pp. m710-m711 ◽  
Author(s):  
Min Wang ◽  
Bo Hu ◽  
Xiao-Tao Deng ◽  
Cheng-Gang Wang
Keyword(s):  
Stacking Interactions ◽  
Coordination Geometry ◽  
Phen Ligand ◽  
Inversion Center ◽  
Dimeric Complex ◽  
Trigonal Bipyramidal ◽  
Oxalate Ligand ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Distorted Trigonal Bipyramidal

In the title dimeric complex, [Cu2(C2O4)Cl2(C12H8N2)2], which lies on a crystallographic inversion center, the CuII ion is in a distorted trigonal–bipyramidal coordination geometry formed by two N atoms from a phen ligand, two O atoms from a bridging oxalate ligand and one Cl atom. In the crystal structure, pairs of molecules related by π–π stacking interactions are stacked along the c-axis direction

μ-Chlorido-bis({N-benzyl-N′-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)) chloride

2007 ◽  
Vol 63 (11) ◽  
pp. m2805-m2806
Author(s):  
Yu-Fen Liu ◽  
Hai-Tao Xia ◽  
Da-Qi Wang ◽  
Shu-Ping Yang
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Complex Cation ◽  
Three Dimensional ◽  
Chloride Anion ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Cl Atom ◽  
Axis Passing

In the title compound, [Cu2Cl3(C18H25N3)2]Cl, the asymmetric unit consists of one half of a μ-chlorido-bis[{N-benzyl-N′-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)] complex cation and one chloride anion lying on a twofold rotation axis. The two CuII centres are symmetry-related by a twofold rotation axis passing through the bridging Cl atom. The Cu atoms exhibit a distorted square-pyramidal coordination environment. The basal and apical Cu—Cl bond lengths are 2.254 (2) and 2.658 (2) Å, respectively. The Cu...Cu distance and Cu—Cl—Cu angle are 4.349 (6) Å and 109.8 (2)°, respectively. In the crystal structure, the molecules of the complex are linked into chains along b and a by C—H...π hydrogen bonds. The chloride anion links these chains along c into a three-dimensional network structure.

scholarly journals Crystal structure ofcatena-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]

2015 ◽  
Vol 71 (12) ◽  
pp. m255-m256
Author(s):  
Mehdi Bouchouit ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah ◽  
...  
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Rotation Symmetry ◽  
Coordination Environment ◽  
Compound C ◽  
Benzene Rings ◽  
Cl Atoms

The asymmetric unit of the polymeric title compound, {(C21H19N2)[HgCl3]}n, comprises one-half of the cationic molecule, the other half being generated by application of twofold rotation symmetry, one Hg and two Cl atoms. The HgIIatom, lying on a twofold rotation axis, exhibits a distorted triangular coordination environment and is surrounded by three Cl atoms with Hg—Cl distances in the range 2.359 (2)–2.4754 (13) Å. Two additional longer distances [Hg...Cl = 3.104 (14) Å] lead to the formation of polymeric [HgCl1/1Cl4/2]−chains extending along [001]. The crystal packing can be described by cationic layers alternating parallel to (-110) with the anionic chains located between the layers. The packing is consolidated by π–π stacking interactions between the benzene rings of the central benzimidazole entities, with centroid-to-centroid distances of 3.643 (3) Å.

scholarly journals Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN1)bis(2,4,6-trimethylbenzoato-κO)zinc

2017 ◽  
Vol 73 (9) ◽  
pp. 1348-1352 ◽  
Author(s):  
Tuncer Hökelek ◽  
Gülçin Şefiye Aşkın ◽  
Safiye Özkaya ◽  
Hacali Necefoğlu
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The asymmetric unit of the title complex, [Zn(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex molecule, and the ZnIIcation and the water O atom lie on a twofold rotation axis. The ZnIIcation is coordinated by two carboxylate O atoms of the two symmetry-related 2,4,6-trimethylbenzoate (TMB) anions and by the water O atom at distances of 2.0311 (16) and 2.076 (2) Å to form a slightly distorted trigonal–planar arrangement, while the distorted trigonal–bipyramidal coordination sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.2066 (19) Å in the axial positions. In the crystal, molecules are linkedviaintermolecular N—H...O and O—H...O hydrogen bonds withR22(12),R33(10) andR33(16) ring motifs, forming a double-column structure running along thec-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (58.4%), H...C/C...H (20.3%) and H...O/O...H (18.3%) interactions.

1,1′-(Butane-1,4-diyl)bis(1H-benzimidazol-3-ium) diiodo(pyridine-2,6-dicarboxylato-κ3 O,N,O′)mercurate(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m801-m803 ◽  
Author(s):  
Tong-Hua Bao ◽  
Zhen-Yu Hou
Keyword(s):  
Hydrogen Bonding ◽  
Rotation Axis ◽  
Title Complex ◽  
Stacking Interactions ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Π Stacking ◽  
Carboxylate Groups ◽  
Distorted Trigonal Bipyramidal

In the title complex, (C18H20N4)[HgI2(C7H3NO4)], the Hg atom exists in a distorted trigonal–bipyramidal geometry formed by two I atoms, one pyridine N and two carboxylate O atoms from a chelating 2,6-pyridinedicarboxylate ligand. Extensive hydrogen bonding between the carboxylate groups and the 1,1′-(butane-1,4-diyl)bis(1H-benzimidazol-3-ium) ion is present in the structure, as well as π–π stacking interactions. The cation has a crystallographic centre of symmetry. In the anion, a crystallographic twofold rotation axis coincides with the Hg–N bond.

scholarly journals Crystal structure of 1-phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ3N,N′,N′′)iron(II)

2016 ◽  
Vol 72 (11) ◽  
pp. 1595-1598 ◽  
Author(s):  
Ka-Cheong Lau ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Rotation Axis ◽  
Iron Complex ◽  
Radical Anions ◽  
Asymmetric Unit ◽  
Rotation Symmetry ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Axis Passing ◽  
Distorted Octahedral Coordination Environment

The title iron complex, [Fe(C21H19N3)2], consists of an FeIIatom chelated by two tridentate bis(imino)pyridine radical anions in a slightly distorted octahedral coordination environment. In the solid state, there are two independent half-molecules in the asymmetric unit, and the complete molecular structure is formed by applying twofold rotation symmetry with the twofold rotation axis passing through an Fe atom. In the crystal, the Fe-containing complexes are not involved in any particular direct intermolecular interactions, with the shortest C—HArcontacts between neighboring phenyl groups beingca3.2 Å.

scholarly journals μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium

IUCrData ◽  
2018 ◽  
Vol 3 (11) ◽  
Author(s):  
Felipe A. Vinocour ◽  
Andrea Soto-Navarro ◽  
Leslie W. Pineda
Keyword(s):  
Coordination Sphere ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Monoclinic Symmetry ◽  
Complex Molecules ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title compound, [CoLi(C11H21N2O)Cl2(C4H8O)2], has monoclinic symmetry and comprises one heterometallic binuclear complex molecule in the asymmetric unit. The Co2+ cation is bonded to one oxygen and two nitrogen atoms of a β-ketoiminato ligand and to two chlorido ligands, leading to a distorted trigonal-bipyramidal coordination sphere. One of the Cl ligands and the oxygen atom of the β-ketoiminato ligand are bridging to a Li+ cation, which is further bonded to oxygen atoms of two THF molecules. The resulting coordination sphere is distorted tetrahedral. In the crystal, weak intermolecular C—H...Cl hydrogen bonds are identified that link the complex molecules into a three-dimensional network structure.

scholarly journals Crystal structures of two stilbazole derivatives: bis{(E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1891-1894
Author(s):  
Priya Antony ◽  
S. Antony Inglebert ◽  
Jerald V. Ramaclus ◽  
S. John Sundaram ◽  
P. Sagayaraj
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Stacking Interactions ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Methyl Group ◽  
Diethyl Amine ◽  
Molecular Salts ◽  
Benzene Rings ◽  
Distorted Tetrahedral Coordination

The title molecular salts, (C18H23N2)2[CdI4], (I), and C18H23N2 +·C7H7O4S−·H2O, (II), are stilbazole, or 4-styrylpyridine, derivatives. The cation, (E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium, has a methyl group attached to pyridine ring and a diethyl amine group attached to the benzene ring. The asymmetric unit of salt (I), comprises one cationic molecule and half a CdI4 dianion. The Cd atom is situated on a twofold rotation axis and has a slightly distorted tetrahedral coordination sphere. In (II), the anion consists of a 4-methoxybenzenesulfonate and it crystallizes as a monohydrate. In both salts, the cations adopt an E configuration with respect to the C=C bond and the pyridine and benzene rings are inclined to each other by 10.7 (4)° in (I) and 4.6 (2)° in (II). In the crystals of both salts, the packing is consolidated by offset π–π stacking interactions involving the pyridinium and benzene rings, with centroid–centroid distances of 3.627 (4) Å in (I) and 3.614 (3) Å in (II). In the crystal of (II), a pair of 4-methoxybenzenesulfonate anions are bridged by Owater—H...Osulfonate hydrogen bonds, forming loops with an R 2 4(8) motif. These four-membered units are then linked to the cations by a number of C—H...O hydrogen bonds, forming slabs lying parallel to the ab plane.

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