scholarly journals Dibromidobis(3-bromobenzyl-κC)(4,7-diphenyl-1,10-phenanthroline-κ2 N,N′)tin(IV)

IUCrData ◽  
2019 ◽  
Vol 4 (3) ◽  
Author(s):  
C. Bhaskar ◽  
S. Chandrasekar ◽  
T. Mohandas ◽  
Ray J. Butcher
Keyword(s):  
Title Compound ◽  
Halogen Bonds ◽  
Supramolecular Layer ◽  
Centrosymmetric Dimers

In the title compound, [SnBr2(C7H6Br)2(C24H16N2)], the Sn atom is coordinated to a 4,7-diphenyl-1,10-phenanthroline, two 3-bromobenzyl and two bromide ligands, leading to a six-coordinate C2Br2N2 donor set. The bromobenzyl ligands are trans to each other, while the Br anions are in a cis arrangement. One of the two 3-bromobenzyl ligands is disordered over two similar conformations, with occupancies of 0.7078 (18) and 0.2922 (18). In the crystal, molecules are linked into centrosymmetric dimers by Br...Br halogen bonds [3.5972 (12) Å], which are linked into a supramolecular layer in the ac plane by weak intermolecular C—H...Br interactions.

scholarly journals 2,6-Bis(4-methoxybenzylidene)cyclohexanone

2006 ◽  
Vol 62 (5) ◽  
pp. o1910-o1912 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Photon Absorption ◽  
Intermolecular Hydrogen Bonds ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C22H22O3, demonstrates a two-photon absorption. Its metrical parameters are similar to those of related cyclohexanone derivatives. In the crystal structure, two sets of centrosymmetric dimers formed by weak C—H...O intermolecular hydrogen bonds combine to form molecular tapes along [101].

Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K

1999 ◽  
Vol 55 (2) ◽  
pp. 209-215 ◽  
Author(s):  
Javier Ellena ◽  
Andrés E. Goeta ◽  
Judith A. K. Howard ◽  
Chick C. Wilson ◽  
Juan C. Autino ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Neutron Diffraction ◽  
Experimental Evidence ◽  
Diffraction Study ◽  
Title Compound ◽  
Neutron Diffraction Study ◽  
Amino Group ◽  
X Ray ◽  
Related Compounds ◽  
Centrosymmetric Dimers

An appreciable degree of pyramidalization of the amine N atom is observed in the title compound. The existence of polar chains, induced by N—H...O synthons, is confirmed. C—H...O interactions, not noted in a previous X-ray study, were found to stabilize further the known head-to-tail assembling of the chains. The structure can be described as non-polar (101) layers, embodying chains interlinked by centrosymmetric dimers, connected by C(aryl)—H...π interactions. The latter are not present in m-nitroaniline, 2-methyl-4-nitroaniline and other related compounds with chains built from similar N—H...O synthons and assembled head-to-head. This finding implies that an obvious relationship between molecular recognition patterns and crystal structures should not be assumed.

(9E)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one: a hydrogen-bondedR22(8) dimer

2013 ◽  
Vol 69 (12) ◽  
pp. 1524-1526
Author(s):  
Diana Becerra ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mild Oxidation ◽  
Envelope Conformation ◽  
Compound C ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C25H21N3OS, which was prepared by mild oxidation of the corresponding 5,6,7,8,9,10-hexahydro analogue, the fused carbocyclic ring adopts an envelope conformation. Pairs of molecules are linked into cyclic centrosymmetric dimers by pairs of inversion-related N—H...O hydrogen bonds.

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 Crystal structure of dichlorido[2-(diphenylphosphanyl)-3,4,5,6-tetrafluorobenzene-1-thiolato-κ2P,S]gold(III)

2015 ◽  
Vol 71 (10) ◽  
pp. m181-m182
Author(s):  
Peter W. R. Corfield ◽  
Mary Bailey
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dimer Formation ◽  
Polar Solvents ◽  
Square Planar ◽  
Thiolate Ligand ◽  
Cl Atoms ◽  
Low Solubility ◽  
Centrosymmetric Dimers

The title compound, [Au(C18H10F4PS)Cl2], crystallizes as neutral molecules, with the AuIIIatom coordinated by two Cl atoms and by the P and S atoms of the bidentate phosphanyl thiolate ligand, in a slightly distorted square-planar environment. The molecules are linked into centrosymmetric dimersvialong axial Au—Cl bonds of 3.393 (4) Å. This axial Au—Cl distance is longer than is usually seen, although one other example has been given. Dimer formation may explain the unexpectedly low solubility of the compound in common polar solvents. There is also a separate intermolecular Au—F contact of 3.561 (6) Å, but this distance seems too long to be regarded as a bond. Two putative C—H...F hydrogen bonds appear to link the dimers into sheets parallel to (110). There is a short intermolecular F...F contact of 2.695 (10) Å between two dimers related by the twofold axis.

scholarly journals Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane

2019 ◽  
Vol 75 (12) ◽  
pp. 1844-1847
Author(s):  
Young Min Byun ◽  
Farwa Ume ◽  
Ji Yeon Ryu ◽  
Junseong Lee ◽  
Hyoung-Ryun Park
Keyword(s):  
Title Compound ◽  
Methoxy Group ◽  
Coupling Reaction ◽  
Major Product ◽  
Molar Ratio ◽  
Dihedral Angles ◽  
X Ray ◽  
Compound C ◽  
Crystallographic Study ◽  
Centrosymmetric Dimers

The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H...O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group.

scholarly journals 5′′-(4-Methoxybenzylidene)-1′-(4-methoxyphenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o256-o257 ◽  
Author(s):  
J. Suresh ◽  
R. A. Nagalakshmi ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Puckering Parameters ◽  
Centrosymmetric Dimers

In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parametersQ= 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H...O interactions form centrosymmetric dimers, which are further connected by C—H...π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides

2012 ◽  
Vol 68 (4) ◽  
pp. m104-m108 ◽  
Author(s):  
Fei Ye ◽  
Hans Reuter
Keyword(s):  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystalline State ◽  
Dipole Moments ◽  
Interplanar Angle ◽  
Bond Lengths ◽  
Association Pattern ◽  
Intermolecular Association ◽  
Tetrahedral Molecules ◽  
Centrosymmetric Dimers

In the crystalline state, the low-melting title compound [common name: diphenyltin(IV) dibromide], [SnBr2(C6H5)2], consists of distorted tetrahedral molecules with compressed halide and enlarged carbon opening angles of 102.741 (9) and 123.53 (8)°, respectively, and Sn—C and Sn—Br bond lengths of 2.109 (2)/2.113 (2) and 2.4710 (3)/2.4947 (3) Å, respectively. Intermolecular Sn...Br interactions, typical for diorganotin(IV) dihalides,R2SnHal2(with Hal = Cl, Br, I), and sterically less demanding organic groups lead to the formation of a hitherto unknown association pattern consisting of centrosymmetric dimers with an antiparallel orientation of the dipole moments and two weak intermolecular Sn...Br distances of 3.8482 (3) Å between one of the two Br atoms and its neighbouring Sn atom, andvice versa. The second Br atom is not involved in intermolecular interactions and lies somewhat outside the association plane that, therefore, is not coplanar [interplanar angle = 1.750 (2)°] with the tin–halide plane. The new structure motif of intermolecular tin–halide interaction can be classified as 2ai, which indicates the number of molecules (i.e.`2') composing the oligomer, the antiparallel orientation (i.e.`a') of their dipole moments and the centre of symmetry (i.e.`i') giving rise to the association pattern.

Die Kristallstruktur des Phosphaniminato-Komplexes [TiCl3(NPPh3)•TiCl4]2 / Crystal Structure of the Phosphorane Iminato Complex [TiCl3(NPPh3)•TiCl4]2

1996 ◽  
Vol 51 (9) ◽  
pp. 1359-1362 ◽  
Author(s):  
Frank Weller ◽  
Fritjof Schmock ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Ir Spectroscopy ◽  
Structure Determination ◽  
Title Compound ◽  
Titanium Tetrachloride ◽  
Bond Distance ◽  
Space Group ◽  
Yellow Orange ◽  
Centrosymmetric Dimers

The title compound was prepared from Me3SiNPPh3 and an excess of titanium tetrachloride. It forms yellow-orange crystals, which were characterized by IR spectroscopy and by crystal structure determination. Space group P21/n, Z = 2; lattice dimensions at 20°C: a = 1189.2(1), b - 1718.5(1), c = 1238.1(1) pm, β = 93.363(7)°. The compound forms centrosymmetric dimers in which the titanium atoms are triply and doubly bridged by chlorine atoms to give face- and edgesharing octahedra, respectively. In the linear units [Ti]=N =PPh3 the Ti-N bond distance of 171.6(3) pm corresponds to a double bond.

scholarly journals Crystal structure ofO-ethylN-(ethoxycarbonyl)thiocarbamate

2015 ◽  
Vol 71 (10) ◽  
pp. o782-o783 ◽  
Author(s):  
Matthew J. Henley ◽  
Alex M. Schrader ◽  
Victor G. Young ◽  
George Barany
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Compound C ◽  
The One ◽  
Related Compounds ◽  
Centrosymmetric Dimers

The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thiocarbonyl moieties areantito each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H...S=C hydrogen bonds between adjacent molecules form centrosymmetric dimers in the crystal.

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