scholarly journals Triphenyltelluronium(IV) bromide acetone hemisolvate

2013 ◽  
Vol 69 (11) ◽  
pp. o1666-o1666 ◽  
Author(s):  
Sari M. Närhi ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
The Other ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Phenyl Rings ◽  
Coordination Spheres ◽  
Secondary Bonding

The asymmetric unit of the title compound, 2C18H15Te+·2Br−·C3H6O or Ph3TeBr·0.5Me2CO, contains two crystallographically independent triphenyltelluronium cations, two bromide anions, and one disordered [site-occupancy ratio = 0.581 (7):0.419 (7)] solvent molecule. Interionic Te...Br interactions connect the cations and anions into a tetrameric step-like structure. The primary coordination spheres of both Te atoms are TeC3trigonal pyramids: three short secondary tellurium–bromine interactions expand the coordination geometry of one of the Te atoms to an octahedron. While the other Te atom shows only two Te...Br secondary bonding interactions, it is also six-coordinated due to a Te...π interaction [3.769 (2) Å] with one of the phenyl rings of the adjacent cation.

scholarly journals A one-dimensional coordination polymer, catena-poly[[[[N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-κ2 S,S′]zinc(II)]-μ2-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-κ3 S,S′:N] 4-methylpyridine hemisolvate]

2017 ◽  
Vol 73 (8) ◽  
pp. 1162-1166 ◽  
Author(s):  
Pavel Poplaukhin ◽  
Hadi D. Arman ◽  
Edward R. T. Tiekink
Keyword(s):  
Coordination Polymer ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
The Other ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Apical Position ◽  
One Dimensional ◽  
Dithiocarbamate Ligand

The title compound, {[Zn(C9H11N2S2)2]·0.5C6H7N} n , comprises two independent, but chemically similar, Zn[S2CN(Et)CH2py]2 residues and a 4-methylpyridine solvent molecule in the asymmetric unit. The Zn-containing units are connected into a one-dimensional coordination polymer (zigzag topology) propagating in the [010] direction, with one dithiocarbamate ligand bridging in a μ2-κ3 mode, employing one pyridyl N and both dithiocarbamate S atoms, while the other is κ2-chelating. In each case, the resultant ZnNS4 coordination geometry approximates a square pyramid, with the pyridyl N atom in the apical position. In the crystal, the chains are linked into a three-dimensional architecture by methyl- and pyridyl-C—H...S, methylene-C—H...N(pyridyl) and pyridyl-C—H...π(ZnS2C) interactions. The connection between the chain and the 4-methylpyridine solvent molecule is of the type pyridyl-C—H...N(4-methylpyridine).

scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

scholarly journals 2,2′-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-3-methylnaphthalen-7(8H)-one}

2013 ◽  
Vol 69 (11) ◽  
pp. o1626-o1627
Author(s):  
Shukhrat M. Hakberdiev ◽  
Samat A. Talipov ◽  
Davranbek N. Dalimov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C44H44N2O6, contains two independent molecules with similar conformations. The dihydronaphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two dihydronaphthalene ring systems is 83.37 (4)° in one molecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hydroxy and imino groupsviaintramolecular O—H...O and N—H...O hydrogen bonds. In the crystal, molecules are linked through O—H...O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π–π interactions between dihydronaphthalene and phenyl rings into a three-dimensional supramolecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).

scholarly journals 5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole

2012 ◽  
Vol 68 (8) ◽  
pp. o2427-o2428
Author(s):  
Ebtehal S. Al-Abdullah ◽  
Ali A. El-Emam ◽  
Hazem A. Ghabbour ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Site Occupancy ◽  
Minor Component ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
A Chain

In the asymmetric unit of the title adamantyl derivative, C20H25N3S, there are two crystallographic independent molecules with slightly different conformations. In one molecule, the whole benzyl group is disordered over two orientations with the refined site-occupancy ratio of 0.63 (2):0.37 (2). The dihedral angles between the 1,2,4-triazole and phenyl rings are 24.3 (8) (major component) and 25.8 (13)° (minor component) in the disordered molecule, whereas the corresponding angle is 51.53 (16)° in the other molecule. In the crystal, molecules are linked into a chain along theaaxis by a weak C—H...N interaction. Weak C—H...π interactions are also observed.

scholarly journals Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate

2020 ◽  
Vol 76 (9) ◽  
pp. 1525-1527
Author(s):  
Benjamin E. Rennie ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Π Interactions

In the title compound (systematic name: bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis(binaphthylphosphonito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octahedral coordination geometry. In the crystal, weak C—H...O and C—H...π interactions link the molecules into layers lying parallel to (001). A weak intramolecular C—H...O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent molecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

scholarly journals Crystal structure ofmeso-3,3′-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one)

2018 ◽  
Vol 74 (10) ◽  
pp. 1497-1499
Author(s):  
Hemant P. Yennawar ◽  
Quentin J. Moyer ◽  
Lee J. Silverberg
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Hydrophobic Interactions ◽  
The Other ◽  
Asymmetric Unit ◽  
Phenyl Rings ◽  
Thiazine Ring

The crystal structure of the title compound –meso-C26H24N2O2S2with two stereocenters – has half the molecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thiazine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thiazine ring is pseudo-axial. The central phenyl ring of the molecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C—H...O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring molecules result in continuous strips propagating along thea-axis direction. Hydrophobic interactions of the C—H...π type are also observed.

scholarly journals 2-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole

IUCrData ◽  
2018 ◽  
Vol 3 (7) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Mohamed S. Mostafa ◽  
Rizk E. Khidre ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H13N5O, comprises four independent molecules (A–D). The respective interplanar angles between the phenyl/oxadiazole/methyltriazole/phenyl rings for the four independent molecules are A 8.8 (2), 13.0 (2), 22.5 (2)°; B 6.3 (2), 8.9 (2), 29.0 (1)°; C 4.0 (2), 10.0 (2), 24.5 (2)°; D 3.5 (2), 10.1 (2), 27.2 (2)°. In the crystal, molecules form two separate stacks parallel to the b-axis direction: one consists of A and D molecules, and the other of B and C molecules. Aromatic π–π stacking is observed within each stack, with the shortest centroid–centroid separation being 3.552 (2) Å.

scholarly journals Crystal structure of bis(N-methyl-N-phenylamino)trisulfane

2015 ◽  
Vol 71 (7) ◽  
pp. 836-839 ◽  
Author(s):  
George Barany ◽  
Matthew J. Henley ◽  
Lauren A. Polski ◽  
Alayne L. Schroll ◽  
Victor G. Young
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Bond Lengths ◽  
The Core ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C14H16N2S3, crystallized with two independent molecules [(1a) and (1b)] in the asymmetric unit. Both molecules display a pseudo-transconformation. The two consecutive S—S bond lengths of the trisulfane unit of molecule (1a) are 2.06 (3) and 2.08 (3) Å, and 2.08 (3) and 2.07 (2) Å for molecule (1b). Torsion angles about each of the two S—S bonds are 86.6 (2) and 87.0 (2)° for (1a), and −84.6 (2) and −85.9 (2)° for (1b). The core atoms,viz.the N—S—S—S—N moiety, of the two molecules superimpose well if one is inverted on the other, but the phenyl groups do not. Thus, the two units are essentially conformational enantiomers. In molecule (1a), the two phenyl rings are inclined to one another by 86.7 (3)°, and in molecule (1b), by 81.1 (3)°. In the crystal, molecules are linkedviaC—H...π interactions, forming sheets lying parallel to (010).

scholarly journals 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1H-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate

IUCrData ◽  
2018 ◽  
Vol 3 (10) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Mohammad Hayal Alotaibi ◽  
Emad Yousif ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Asymmetric Unit ◽  
Thiazole Derivative

The asymmetric unit of the title compound, 2C20H17BrN6S·C3H7NO, comprises two molecules of the thiazole derivative and one molecule of dimethylformamide (DMF) solvent. The twist angles between the planes through the bromophenyl, methylthiazolyl and indolyl groups are 10.1 (1) and 44.2 (1)°, respectively, for one molecule and 11.3 (1) and 1.6 (1)° for the other. In the crystal, N—H...N hydrogen bonds link four of the main molecules into tetramers. N—H...O bonds involving the DMF solvent molecule also occur.

scholarly journals (4Z)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
Mohamed Samba ◽  
Mohamed Said Minnih ◽  
Youssef Ramli ◽  
Younes Ouzidan ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Membered Ring ◽  
The Other ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Open Face

The title compound, C19H18N2O2, crystallizes with two independent molecules in the asymmetric unit which differ in conformation. The seven-membered ring adopts a `bowl' conformation with the benzyl group oriented away from the open face in one molecule, while the benzyl group is oriented towards the open face in the other. The benzyl group of one independent molecule is disordered over two sets of sites with refined site-occupancy factors of 0.454 (8) and 0.546 (8). The two molecules are linkedviaC—H...O hydrogen bonds and centrosymmetrically related pairs of molecules form dimers through C—H...O hydrogen bonds, packing in rows parallel to thecaxis.

Sign in / Sign up

Export Citation Format

Share Document