scholarly journals Crystal structure of cyclic tris(ferrocene-1,1′-diyl)

2014 ◽  
Vol 70 (9) ◽  
pp. m318-m319 ◽  
Author(s):  
Ruslan Shekurov ◽  
Vasili Miluykov ◽  
Olga Kataeva ◽  
Artem Tufatullin ◽  
Oleg Sinyashin
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Π Interactions ◽  
Cyclic Trimer

The molecular structure of the trinuclear title compound, [Fe3(C10H8)3] {systematic name: tris[μ-(η5:η5)-1,1′-bicyclopentadienyl]triiron(II)}, consists of three ferrocene subunits (each with an eclipsed conformation) that are condensedviaC—C bonds of the fulvalene moieties into a cyclic trimer. The angles between the planes of the cyclopentadienyl (Cp) rings within the three fulvalene moieties are 76.1 (3), 80.9 (3) and 81.7 (3)°. In the crystal, C—H...π interactions between neighbouring molecules lead to the cohesion of the structure.

(3-Acetylpyridine-κN)chlorobis(triphenylphosphine-κP)copper(I): a suitable candidate for absolute asymmetric synthesis?

2006 ◽  
Vol 62 (7) ◽  
pp. m1569-m1571
Author(s):  
Anders Lennartson ◽  
Kent Salo ◽  
Mikael Håkansson
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Nucleophilic Attack ◽  
Suitable Candidate ◽  
Π Interactions ◽  
Crystallization Conditions ◽  
Chiral Crystals ◽  
Triphenylphosphine Ligand

It was found that 3-acetylpyridine is capable of displacing triphenylphosphine from [CuCl(PPh3)3], forming the title compound, [CuCl(C7H7NO)(C18H15P)2]. The two triphenylphosphine ligands possess the same sense of chirality, and the molecules are therefore conformationally chiral. The compound was found to crystallize as a racemate (centrosymmetric space group) under the crystallization conditions employed. The molecular structure shows that the carbonyl C atom is blocked at one side by a triphenylphosphine ligand, while the other face is open for nucleophilic attack. Obtaining chiral crystals of the title compound is thus a future objective. In the crystal structure, C—H...O(=C)-bonded dimers are formed, which are further stabilized by π–π interactions. The dimers form infinite chains through weak C—H...π interactions.

scholarly journals Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one

2015 ◽  
Vol 71 (3) ◽  
pp. o143-o144
Author(s):  
Mehmet Aslantaş ◽  
Cumali Çelik ◽  
Ömer Çelik ◽  
Arzu Karayel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C16H17NO2, the cyclohexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51 (7)°. The molecular structure is stabilized by a short intramolecular C—H...O contact. In the crystal, molecules are linked by O—H...O hydrogen bonds forming chains propagating along [100]. The chains are linked by C—H...π interactions, forming slabs parallel to (001).

N,N′-Bis[4-(dimethylamino)benzylidene]butane-1,4-diamine

2007 ◽  
Vol 63 (11) ◽  
pp. o4330-o4330
Author(s):  
Mohammad Hossein Habibi ◽  
Mahmoud Zendehdel ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C22H30N4, lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The molecular structure has a staggered conformation, with the two benzene rings parallel to each other. The dihedral angle between the benzylidene and butane groups is 77.77 (7)°. In the crystal structure, molecules are arranged into columns along the a axis by C—H...π interactions.

scholarly journals Crystal structure of {2,6-bis[(dimethylamino)methyl]phenyl-κ3N,C1,N′}(bromido/chlorido)mercury(II)

2017 ◽  
Vol 73 (11) ◽  
pp. 1679-1682
Author(s):  
Anand Gupta ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Methyl Phenyl

In the molecular structure of the title compound, {2,6-bis[(dimethylamino)methyl]phenyl-κ3N,C1,N′}[bromido/chlorido(0.30/0.70)]mercury(II)–{2,6-bis[(dimethylamino)methyl]phenyl-κ3N,C1,N′}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1), [HgBr0.30Cl0.70(C12H19N2)]·[HgBr0.24Cl0.76(C12H19N2)], there are two molecules in the asymmetric unit of formulaLHgX{L= 2,6-bis[(dimethylamino)methyl]phenyl andX= Cl/Br}. In each molecule, the halide site is mixed Cl/Br, with occupancies of 0.699 (7):0.301 (7) and 0.763 (7):0.237 (7), respectively. The two molecules are linked into dimers by a combination of Hg...Hg [Hg...Hg = 3.6153 (3) Å] and C—H...Cl and C—H...π interactions.

scholarly journals Crystal structure of 1,3-bis(1H-benzotriazol-1-ylmethyl)benzene

2016 ◽  
Vol 72 (6) ◽  
pp. 815-818 ◽  
Author(s):  
Mario A. Macías ◽  
Nelson Nuñez-Dallos ◽  
John Hurtado ◽  
Leopoldo Suescun
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aromatic Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Benzene Nucleus ◽  
Π Interactions ◽  
Compound C

The molecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in ametaconfiguration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C—H...N and C—H...π interactions. The molecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

scholarly journals Crystal structure ofr-1,c-2-dibenzoyl-t-3,t-4-bis(2-nitrophenyl)cyclobutane

2017 ◽  
Vol 73 (12) ◽  
pp. 1866-1870
Author(s):  
Manuel Velasco Ximello ◽  
Sylvain Bernès ◽  
Aarón Pérez-Benítez ◽  
Ulises Hernández Pareja ◽  
Angel Mendoza ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nitro Group ◽  
Steric Hindrance ◽  
Title Compound ◽  
Condensation Reaction ◽  
Molten State ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The condensation reaction of acetophenone (1-phenylethan-1-one) with 2-nitrobenzaldehyde in the molten state yielded the expected chalcone, (E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one, and, unexpectedly, the title compound, C30H22N2O6, which results from thesynhead-to-head [2 + 2] cycloaddition of the chalcone. The molecular structure of the dimer shows that the four benzene rings of the substituents are oriented in such a way that potential steric hindrance is minimized, whilst allowing some degree of intermolecular π–π interactions for crystal stabilization. In the molecule, one nitro group is disordered over two positions, with occupancies for each part of 0.876 (7) and 0.127 (7).

scholarly journals Crystal structure of 3-{1′-[3,5-bis(trifluoromethyl)phenyl]ferrocenyl}-4-bromothiophene

2014 ◽  
Vol 70 (10) ◽  
pp. 238-241 ◽  
Author(s):  
Elisabeth A. Poppitz ◽  
Marcus Korb ◽  
Heinrich Lang
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Phenyl Group ◽  
The Other ◽  
Phenyl Substituent ◽  
Π Interactions ◽  
Centroid Distance

The molecular structure of the title compound, [Fe(C9H6BrS)(C13H7F6)], consists of a ferrocene backbone with a bis(trifluoromethyl)phenyl group at one cyclopentadienyl ring and a thiophene heterocycle at the other cyclopentadienyl ring. The latter is disordered over two sets of sites in a 0.6:0.4 ratio. In the crystal structure, intramolecular π–π interactions between the thienyl and the phenyl substituent [centroid–centroid distance 3.695 (4) Å] and additional weakT-shaped π–π interactions between the thienyl and the phenyl-substituted cyclopentadienyl ring [4.688 (6) Å] consolidate the crystal packing.

scholarly journals Di-μ-acetato-κ4O:O′-bis[(1,10-phenanthroline-κ2N,N′)(trifluoromethanesulfonato-κO)copper(II)]

2013 ◽  
Vol 69 (11) ◽  
pp. m591-m592
Author(s):  
Nanthawat Wannarit ◽  
Chaveng Pakawatchai ◽  
Sujittra Youngme
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Lattice Structure ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Phen Ligand ◽  
Dimensional Lattice ◽  
Face To Face ◽  
Π Interactions

The complete molecule of the title compound, [Cu2(C2H3O2)2(CF3O3S)2(C12H8N2)2], is completed by the application of a twofold rotation and comprises two CuIIions, each of which is pentacoordinated by two N atoms from a bidentate 1,10-phenanthroline (phen) ligand, two O atoms from acetate ligands and an O atom from a trifluoromethanesulfonate anion, forming a (4 + 1) distorted square-pyramidal coordination geometry. The CuIIions are connected by two acetate bridges in asyn–synconfiguration. The F atoms of the trifluoromethanesulfonate ligands are disordered, with site-occupation factors of 70 and 30. The molecular structure is stabilized by intramolecular face-to-face π–π interactions with centroid–centroid distances in the range 3.5654 (12)–3.8775(12) Å. The crystal structure is stabilized by C—H...O interactions, leading to a three-dimensional lattice structure.

scholarly journals Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene

2015 ◽  
Vol 71 (12) ◽  
pp. 1429-1432
Author(s):  
Charles E. Diesendruck ◽  
Gabrielle Rubin ◽  
Jeffery A. Bertke ◽  
Danielle L. Gray ◽  
Jeffrey S. Moore
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Suzuki Coupling ◽  
Two Dimensional ◽  
Extended Structure ◽  
Π Interactions ◽  
Compound C

The title compound, C26H22N4(I), was synthesized by C—H iridium-catalyzed borylation followed by Suzuki coupling. The molecular structure of (I) consists of a central benzene ring with 3-dimethylquinoxalin-6-yl groups at the 1 and 3 positions. These 2,3-dimethylquinoxalin-6-yl groups twist significantly out of the plane of the benzene ring. There are intermolecular π–π interactions which result in a two-dimensional extended structure. The layers extend parallel to theabplane and stack along thecaxis.

(2RS,5SR,6SR)-Ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-phenylsulfanyl-1,2,5,6-tetrahydropyridine-3-carboxylate

2007 ◽  
Vol 63 (3) ◽  
pp. o1377-o1379 ◽  
Author(s):  
J. Suresh ◽  
R. Suresh Kumar ◽  
S. Perumal ◽  
S. Natarajan
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Graph Set

The title compound, C26H23F2NO3S, a polysubstituted piperidine enol, adopts a twisted half-chair conformation. The crystal structure is stabilized by N—H...F, C—H...O and weak C—H...π interactions. An intramolecular O—H...S interaction generates an S(5) graph-set motif.

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