scholarly journals Crystal structure of bis[(phenylmethanamine-κN)(phthalocyaninato-κ4N)zinc] phenylmethanamine trisolvate

2015 ◽  
Vol 71 (9) ◽  
pp. 1026-1031 ◽  
Author(s):  
Norzianah Shamsudin ◽  
Ai Ling Tan ◽  
Franz L. Wimmer ◽  
David J. Young ◽  
Edward R. T. Tiekink
Keyword(s):  
Complex Molecule ◽  
Three Dimensional ◽  
Complex Molecules ◽  
Torsion Angles ◽  
Π Interactions ◽  
Pyramidal Geometry ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex molecules and three benzylamine solvent molecules. Each complex molecule features a pentacoordinated Zn2+ion within a square-pyramidal geometry, whereby the N5donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzylamine molecule; it is the relative orientations of the latter that differentiate between the independent complex molecules. The uncoordinated benzylamine molecules display different conformations in the structure, withsyn-Car—Car—Cm—N (ar = aromatic, m = methylene) torsion angles spanning the range −28.7 (10) to 35.1 (14)°. In the crystal, N—H...N and N—H...π interactions lead to supramolecular layers in theabplane. The layers have a zigzag topology, have the coordinating and non-coordinating benzylamine molecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associateviaπ–π interactions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.

scholarly journals [μ-2,2′-(1,4-Phenylene)diacetato-κ2O1:O4]bis[aqua(2,2′-bipyridine-κ2N,N′)chloridocopper(II)] dihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. m1114-m1114
Author(s):  
Jin-He Zhao ◽  
Yan-Xia Lin ◽  
Wei Wu ◽  
Zhong Zhang
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Complex Molecules ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Pyramidal Geometry ◽  
Cl Atom

In the centrosymmetric title compound, [Cu2(C10H8O4)Cl2(C10H8N2)2(H2O)2]·2H2O, the CuIIatom is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a chelating 2,2′-bipyridine ligand, one O atom from a 1,4-phenylenediacetate ligand, one Cl atom and one water molecule. The 1,4-phenylenediacetate ligand, lying on an inversion center, bridges two CuIIatoms. In the crystal, O—H...O and O—H...Cl hydrogen bonds and π–π interactions between the pyridine rings [centroid–centroid distance = 3.740 (5) Å] link the complex molecules and uncoordinated water molecules into a three-dimensional network.

scholarly journals Dichlorido(ethanol-κO)[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN3]copper(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m508-m508
Author(s):  
Long Li ◽  
Kai-Sheng Diao ◽  
Yu-Qiu Ding ◽  
Jin-Niu Tang ◽  
Dai-Yin Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Complex ◽  
Complex Molecules ◽  
Ethanol Molecule ◽  
Π Interactions ◽  
Pyramidal Geometry ◽  
Centroid Distance ◽  
Square Pyramidal Geometry ◽  
Cl Atoms

In the title complex, [CuCl2(C10H7N3S)(C2H5OH)], the CuIIion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 2-(1,3-thiazol-4-yl)-1H-benzimidazole ligand, one O atom from an ethanol molecule and two Cl atoms. In the crystal, O—H...Cl and N—H...Cl hydrogen bonds link the complex molecules into a layer parallel to (100). π–π interactions between the thiazole rings are observed [centroid–centroid distance = 3.749 (3) Å].

scholarly journals Crystal structure of (E)-N-{2-[2-(4-methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-p-toluenesulfonamide

2015 ◽  
Vol 71 (6) ◽  
pp. 730-733 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Acid Moiety ◽  
Torsion Angles ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Amino Acid Moiety ◽  
Phenyl Rings

The title acylhydrazone derivative, C17H19N3O3S, containing an amino acid moiety and electron-donating substituents attached to both the phenyl rings, crystallized with two independent molecules (AandB) in the asymmetric unit. The molecules are bent at the S atom, with C—SO2—NH—CH2torsion angles of −67.3 (2) and 67.7 (3)° in moleculesAandB, respectively. Further, the dihedral angles between the sulfonylglycine segments and thep-toluenesulfonyl rings are 76.1 (1) and 85.8 (1)° in moleculesAandB, respectively. The central hydrazone segments and the toluene rings attached to them are almost co-planar with their mean planes being inclined to one another by 5.2 (2) (moleculeA) and 2.9 (2)° (moleculeB). The dihedral angles between the benzene rings are 86.83 (12) (moleculeA) and 74.00 (14)° (moleculeB). In the crystal, theAmolecules are linked by a pair of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviathree N—H...O hydrogen bonds involving theBmolecules, forming chains along [100] and enclosingR22(12) andR44(16) ring motifs. The chains are linkedviaC—H...O hydrogen bonds and a C—H...π interaction, forming sheets parallel to (010). There is a further C—H...π interaction and a slipped parallel π–π interaction [inter-centroid distance = 3.8773 (16) Å] between the sheets, leading to the formation of a three-dimensional framework.

scholarly journals Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc–4-cyanopyridine (1/1)

2016 ◽  
Vol 72 (2) ◽  
pp. 164-169 ◽  
Author(s):  
Soumaya Nasri ◽  
Nesrine Amiri ◽  
Ilona Turowska-Tyrk ◽  
Jean-Claude Daran ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Title Compound ◽  
Axial Ligand ◽  
Complex Molecules ◽  
Zinc Cation ◽  
Π Interactions ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Square Pyramidal Geometry

In the title compound, [Zn(C72H44N4O8)(C6H4N2)]·C6H4N2or [Zn(TPBP)(4-CNpy]·(4-CNpy) [where TPBP and 4-CNpy are 5,10,15,20-(tetraphenylbenzoate)porphyrinate and 4-cyanopyridine, respectively], the ZnIIcation is chelated by four pyrrole-N atoms of the porphyrinate anion and coordinated by a pyridyl-N atom of the 4-CNpy axial ligand in a distorted square-pyramidal geometry. The average Zn—N(pyrrole) bond length is 2.060 (6) Å and the Zn—N(4-CNpy) bond length is 2.159 (2) Å. The zinc cation is displaced by 0.319 (1) Å from the N4C20mean plane of the porphyrinate anion toward the 4-cyanopyridine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling and doming deformations. In the crystal, the [Zn(TPBP)(4-CNpy)] complex molecules are linked togetherviaweak C—H...N, C—H...O and C—H...π interactions, forming supramolecular channels parallel to thecaxis. The non-coordinating 4-cyanopyridine molecules are located in the channels and linked with the complex molecules,viaweak C—H...N interactions and π-π stacking orviaweak C—H...O and C—H...π interactions. The non-coordinating 4-cyanopyridine molecule is disordered over two positions with an occupancy ratio of 0.666 (4):0.334 (4).

scholarly journals 6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o547-o547
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Title Compound ◽  
Formyl Group ◽  
Torsion Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C10H4ClNO5, the non-H atoms of the 6-chlorochromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined to the chromone unit mean plane by 13.3 (2) °. The formyl group is also twisted with respect to the attached ring [C—C—C—O torsion angles = 10.8 (4) and −171.8 (2)°]. In the crystal, molecules are linked via C-H...O hydrogen bonds forming slab-like networks lying parallel to (-301). The slabs are linked by π–π interactions involving the benzene rings of the chromone units [centroid–centroid distance = 3.770 (3) Å].

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.

scholarly journals 2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one

2014 ◽  
Vol 70 (2) ◽  
pp. o158-o159
Author(s):  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System ◽  
Dimeric Aggregates

In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intramolecular N—H...N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O—N—C—C torsion angles = 167.94 (11) and 170.38 (11)°]. In the crystal, amine–nitro N—H...O hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazinyl–nitro C—H...O and π–π interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å].

scholarly journals Crystal structure of (E)-N′-benzylidene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide

2014 ◽  
Vol 70 (9) ◽  
pp. o995-o995
Author(s):  
Zhijun Wang ◽  
Chengyong Zhou ◽  
Lei Yan ◽  
Jinglin Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C13H12N4O3, the dihedral angle between the planes of the pyrrole and benzene rings is 7.47 (1)°. In the crystal, molecules are arranged in sheets lying parallel to (101). Neighbouring sheets are linked by N—H...O hydrogen bonds, weak π–π [centroid–centroid distance between the pyrrole rings = 3.765 (11) Å] and C—H...π interactions, forming a three-dimensional structure.

scholarly journals Diaquadichloridobis[quinazolin-4(1H)-one-κN 3]nickel(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m724-m724
Author(s):  
Shirin Shomurotova ◽  
Kambarali K. Turgunov ◽  
Nasir Mukhamedov ◽  
Bakhodir Tashkhodjaev
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Inversion Center ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Centroid Distance ◽  
Benzene Rings

In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water molecules. The water molecules are involved in intra- and intermolecular O—H...O and O—H...Cl hydrogen bonding. Intermolecular N—H...O and N—H...Cl hydrogen bonds are formed between ligands. In addition, weak π–π interactions are observed between the benzene rings of the ligands [centroid–centroid distance = 3.580 (3) Å]. The intermolecular hydrogen bonds and π–π interactions lead to the formation of a three-dimensional supramolecular network.

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