scholarly journals Dichlorido(η6-p-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)

IUCrData ◽  
2021 ◽  
Vol 6 (12) ◽  
Author(s):  
Wade L. Davis ◽  
Alfred Muller
Keyword(s):  
Title Compound ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Π Interactions ◽  
Two Component ◽  
Solid Angles ◽  
Effective Cone

The title compound, [RuCl2(C10H14)(C21H21O3P)], crystallizes with two complex molecules in the asymmetric unit. The RuII atom has a classical three-legged piano-stool environment being coordinated by a cymene ligand [Ru—centroid = 1.707 (2)/1.704 (2) Å], a tris(4-methoxyphenyl)phosphane ligand [Ru—P = 2.3629 (15)/2.3665 (15) Å] and two chloride atoms with the Ru—Cl bonds adopting two distinct values of 2.4068 (16)/2.4167 (16) and 2.4016 (15)/2.4244 (16) Å. The effective cone and solid angles for the phosphane ligands were calculated to be 149.5/150.2° and 25.3/25.6°, respectively. In the crystal, weak C—H...Cl/O/π interactions are observed. The crystal was refined as a two-component twin.

scholarly journals Bis(4-hydroxy-N-isopropyl-N-methyltryptammonium) fumarate: a new crystalline form of miprocin

2020 ◽  
Vol 76 (4) ◽  
pp. 514-517 ◽  
Author(s):  
Andrew R. Chadeayne ◽  
Duyen N. K. Pham ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystalline Form ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Π Interactions ◽  
Ethyl Methyl ◽  
Two Component ◽  
Oxygen Atoms

The title compound, bis(4-hydroxy-N-isopropyl-N-methyltryptammonium) (4-HO-MiPT) fumarate (systematic name: bis{[2-(4-hydroxy-1H-indol-3-yl)ethyl](methyl)propan-2-ylazanium} but-2-enedioate), 2C14H21N2O+·C4H2O4 2−, has a singly protonated tryptammonium cation and one half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by N—H...O and O—H...O hydrogen bonds. These chains are a combination of R 4 2(20) rings, and C 2 2(15) and C 4 4(30) parallel chains along (110). They are further consolidated by N—H...π interactions. There are two two-component types of disorder impacting the tryptammonium fragment with a 0.753 (7):0.247 (7) occupancy ratio and one of the fumarate oxygen atoms with a 0.73 (8):0.27 (8) ratio.

scholarly journals (4′-Phenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)bis(thiocyanato-κN)zinc(II) unknown solvate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
An-ran Wang ◽  
Cong Wang ◽  
Sheng-Li Li
Keyword(s):  
Electron Density ◽  
Title Compound ◽  
Complex Molecule ◽  
Small Region ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Π Interactions ◽  
Independent Molecules

The title compound, [Zn(NCS)2(C21H15N3)], crystallizes with three independent complex molecules in the asymmetric unit. In each complex molecule, the ZnIIatom is coordinated by three N atoms of a 4′-phenyl-2,2′:6′,2′′-terpyridine ligand, and by the N atoms of two NCS−anions. The ZnIIatoms are therefore five-coordinate, ZnN5, with distorted square-pyramidal geometries. In the crystal, the three independent molecules are linked by a series of offset π–π interactions [intercentroid distances vary between 3.680 (5) and 3.791 (5) Å], forming columns along thea-axis direction. The columns are linkedviaC—H...S interactions, forming a fence-like arrangement parallel to theabplane. A small region of disordered electron density was corrected for using the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst.C71, 9–18], but the formula mass and unit-cell characteristics were not taken into account during the refinement.

scholarly journals 1-[5-(2-Chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Farook Adam ◽  
Nadiah Ameram ◽  
Seranthimata Samshuddin ◽  
Moonnanjilikkal Brighten Antony ◽  
Musthakeem Ali Khan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Two Component ◽  
Independent Molecules

The title compound, C18H17ClN2O, crystallized with two independent molecules (theSandRenantiomers) in the asymmetric unit. The molecules are V-shaped with the two aromatic rings inclined to one another by 78.78 (11) and 81.23 (11)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains along thec-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional framework. The crystal structure was refined as a two-component twin.

scholarly journals Diaquabis(2,2′-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. m829-m829
Author(s):  
Lining Yang ◽  
Yanxiang Zhi ◽  
Jiahui Hei ◽  
Yanqing Miao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C6H6N4)2(H2O)2](C8H4O4), contains one-half each of the centrosymmetric cation and anion. The MnII atom is coordinated by four N atoms [Mn—N = 2.2168 (14) and 2.2407 (14) Å] from two 2,2′-biimidazole ligands and two water molecules [Mn—O = 2.2521 (14) Å] in a distorted octahedral geometry. Intermolecular N—H...O and O—H...O hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between five-membered rings, with a centroid–centroid distance of 3.409 (2) Å.

scholarly journals 4,4′-Bipyridine–terephthalic acid (1/1)

2012 ◽  
Vol 68 (6) ◽  
pp. o1711-o1711 ◽  
Author(s):  
Vandavasi Koteswara Rao ◽  
Matthias Zeller ◽  
Sherri R. Lovelace-Cameron
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Terephthalic Acid ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Layer

The asymmetric unit of the title compound, C10H8N2·C8H6O4, consists of one half-molecule of each moiety, 4,4′-bipyridine (bpy) and terephthalic acid (bdc), both being located on crystallographic inversion centers. They are linked together via strong intermolecular O—H...N hydrogen bonds, forming infinite chains propagating along [1-21]. The chains are further connected through C—H...O interactions giving sheets in (012). The sheets are linked via π–π interactions between the bpy rings and the bdc–bpy rings [centroid–centroid distances = 3.690 (2) and 3.869 (2) Å], resulting in the formation of a three-dimensional supramolecular layer-like structure.

scholarly journals 3-Benzyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Corrugated Sheets ◽  
Benzyl Substituent

The asymmetric unit of the title compound, C22H18N2O2, consists of two independent molecules differing primarily in the orientation of the benzyl substituent. The two independent molecules are associated through complementary C—H...π interactions and are elaborated into corrugated sheets by paired N—H...O and C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds bind the sheets together.

scholarly journals 5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o258-o258
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (AandB). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for moleculeA, and 0.002 (1), 0.004 (1) and 0.005 (1) Å forB] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for moleculeA, and 33.34 (6) and 20.99 (8)° forB. In the crystal, molecules are linked by weak C—H...F and C—H...π interactions, resulting in a three-dimensional network.

scholarly journals Poly[[tetra-μ-cyanido-κ8C:N-dodeca-cyanido-κ12C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)trimanganese(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (5) ◽  
pp. m170-m171
Author(s):  
Fei-Lin Yang ◽  
Dan Yang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, {[Mn3{W(CN)8}2(C16H16N2)3(C3H7NO)3(CH3OH)3]·2H2O}n, consists of three [Mn(N,N-dimethylformamide)(methanol)(3,4,7,8-tetramethyl-1,10-phenanthroline)]2+cations, two [W(CN)8]3−anions and two water molecules. Each water molecule is disordered over three sets of sites, with a refined occupancy ratio of 0.310 (9):0.275 (9):0.415 (9) for one molecule and 0.335 (9):0.288 (9):0.377 (9) for the other molecule. The MnIIatoms exhibit a distorted octahedral geometry, while the WVatoms adopt a distorted square-antiprismatic geometry. The MnIIand WVatoms are linked alternatively through cyanide groups, forming a tetranuclear 12-atom rhombic metallacycle. Adjacent metallacycles are further connected by μ2-bridging cyanide anions, generating a 3,2-chain structure running parallel to [101]. Interchain π–π interactions are observed [centroid–centroid distances = 3.763 (3) and 3.620 (2) Å].

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals (2,2′-Bipyridine-κ2N,N′)dichloridopalladium(II) 1,4-dioxane hemisolvate

2014 ◽  
Vol 70 (6) ◽  
pp. m218-m218 ◽  
Author(s):  
Ricardo Alfredo Gutiérrez Márquez ◽  
Carmela Crisóstomo-Lucas ◽  
David Morales-Morales ◽  
Simón Hernández-Ortega
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Complex Molecule ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Square Planar ◽  
Chloride Ligands ◽  
Bipyridine Ligand

The asymmetric unit of the title compound, [PdCl2(C10H8N2)]·0.5C4H8O2, consists of one PdIIcomplex molecule and a half-molecule of 1,4-dioxane, the complete molecule being generated by inversion symmetry. The PdIIatom has an almost square-planar coordination formed by the 2,2′-bipyridine ligand and two chloride ligands. Two intramolecular C—H...Cl hydrogen bonds occur. In the crystal, the PdIIcomplex and 1,4-dioxane molecules are connected by C—H...O hydrogen bonds, forming a layer parallel to (10-1). Within the layer, weak π–π interactions [centroid–centroid distance = 3.817 (4) Å] are observed between the pyridine rings.

Sign in / Sign up

Export Citation Format

Share Document