(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 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.

3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1084-o1085
Author(s):  
Wu-Lan Zeng ◽  
Sai Bi ◽  
Jun Wan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Π Interactions ◽  
Compound C

In the title compound, C16H15N3O, the whole skeleton of non-H atoms is approximately planar; the dihedral angle is 1.45 (2)° between the benzene and triazole rings in the benzotriazole unit and 6.46 (1)° between the other terminal benzene ring and the benzotriazole unit. The crystal structure is stabilized by C—H...π interactions.

Organometalloidal Compounds with o-Phenylene Substituents, VII [1] Crystal and Molecular Structure of 10,15-Dihydro-5H-5,10,15-trioxa-tribenzo [a,d,g] cyclononene (Trimeric o-Phenylene Oxide) and its Implications Concerning Preferred Conformations of Compounds (Arylene)3X3

1981 ◽  
Vol 36 (12) ◽  
pp. 1526-1531 ◽  
Author(s):  
Klaus von Deuten ◽  
Günter Klar
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal And Molecular Structure ◽  
The Other ◽  
Bond Lengths ◽  
Π Interactions ◽  
Phenylene Oxide ◽  
Steric Factors ◽  
Oxygen Atoms

The title compound crystallizes with an orthorhombic P cell, a = 893.5(1), b = 949.2(2), c = 1520.6(3) pm; Z = 4, space group Pnab. Its molecular conformation has crystallographic C2-symmetry with one phenylene ring in the plane of the three oxygen atoms, the other rings extending almost perpendicularly above and below this plane. The two kinds of oxygen atoms in the molecule show characteristic differences with respect to CO bond lengths and COC bond angles; only the oxygen lying on the C2-axis (joining the "perpendicular" rings) exhibits π-interactions with its phenylene rings. The influence of electronic and steric factors on the preferred conformation of the class of compounds (arylene)3X3 is pointed out.

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).

scholarly journals Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate

2006 ◽  
Vol 62 (7) ◽  
pp. o2714-o2716 ◽  
Author(s):  
N. David Karis ◽  
Wendy A. Loughlin ◽  
Ian D. Jenkins ◽  
Peter C. Healy
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C9H10N2O5, crystallizes with two crystallographically independent molecules in the asymmetric unit. In the crystal structure, the nitropyridone rings are connected by weak C—H...O interactions, forming sheet-like arrays, which are in turn linked by C—H...π and π–π interactions between the nitropyridone rings on one side, and by C—H...O and van der Waals interactions between the ester groups on the other.

Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-cis-7H,11H-2,4-dioxa-5a,6a,12a,13a-tetraazabenz[f]cycloocta[cd]azulene-13b,13c-dicarboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2738-o2740
Author(s):  
Yun-Feng Chen ◽  
Yu-Zhou Wang ◽  
Hui-Zhen Guo ◽  
Yi-Tao Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Π Interactions ◽  
Compound C ◽  
Methylene Groups ◽  
Methylene Group

The title compound, C21H23IN4O8, is a glycoluril derivative with five fused rings. An iodobenzene ring is fused to a seven-membered ring which binds two of the N atoms from separate rings of the glycoluril system. The other N atoms are linked via methylene groups to form an eight-membered ring with two ether O atoms separated by an additional methylene group. The crystal structure is stabilized by inversion-related C—H...π interactions together with C—H...O non-classical hydrogen bonds.

3-(3-Methoxyanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4296-o4297
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C15H13NO3, is stabilized by inversion-related N—H...O and C—H...O intermolecular hydrogen bonds and C—H...π interactions. The N—H...O hydrogen bonds generate two C(6) chains, one within the other, and these chains are linked by C—H...O intermolecular hydrogen bonds forming R 4 4(21) ring motifs. The phthalide part of the molecule is planar, and the dihedral angle between the phthalide group and the other benzene ring is 62.81 (8)°.

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.

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