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-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 (4E)-4-(8-methoxy-2H-chromen-2-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o414-o415
Author(s):  
Muhammad Salim ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Heterocyclic Ring ◽  
Phenyl Substituent ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the molecule. In the crystal, molecules are connected into inversion dimers of theR22(14) type by pairs of C—H...O interactions. π–π interactions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π–π interactions are present at a centroid–centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ring and methoxy substituted aromatic ring of a neighbouring molecule. Additional C—H...π and C=O...π interactions are also observed.

scholarly journals Crystal structure of (3E)-3-[(4-nitrophenoxy)methyl]-4-phenylbut-3-en-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1020-o1021 ◽  
Author(s):  
Julio Zukerman-Schpector ◽  
Stella H. Maganhi ◽  
Paulo J. S. Moran ◽  
Bruno R. S. de Paula ◽  
Paulo R. Nucci ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Phenyl Group ◽  
Aromatic Rings ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] isEwith the ketone group almost co-planar [C—C—C—C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C—C—C—C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the molecule an overall U-shape. The crystal packing feature benzene-C—H...O(ketone) contacts that lead to supramolecular helical chains along thebaxis. These are connected by π–π interactions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å], resulting in the formation of a supramolecular layer in thebcplane.

scholarly journals 2-Phenyl-1-(phenylsulfinyl)naphtho[2,1-b]furan

2009 ◽  
Vol 65 (6) ◽  
pp. o1443-o1443 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Byeng Wha Son ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Phenyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C24H16O2S, the O atom and the phenyl group of the phenylsulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment; the phenyl ring is almost perpendicular to this plane [82.34 (5)°]. The 2-phenyl ring is rotated out of the naphthofuran plane making a dihedral angle of 48.21 (6)°. The crystal structure shows π–π interactions between the central benzene rings of adjacent molecules [centroid–centroid distance = 3.516 (3) Å], as well as non-classical C—H...O hydrogen bonds.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

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 Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o650-o651
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed Baashen ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Ethyl Group ◽  
Π Interactions ◽  
Step Structure ◽  
Compound C ◽  
Centroid Distance

The molecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N—C—C—C torsion angle of 1.5 (2)°. In the crystal, inversion-related molecules are stacked along theaaxis. Molecules are oriented head-to-tail and display π–π interactions with a centroid-to-centroid distance of 3.6664 (8) Å. N—H...O hydrogen bonds between molecules generate a `step' structure through formation of anR22(10) ring.

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

scholarly journals 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate

2012 ◽  
Vol 68 (4) ◽  
pp. o1218-o1218 ◽  
Author(s):  
Aurang Zeb ◽  
Sammer Yousuf ◽  
Fatima Z. Basha
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C13H12BrN3O4, the dihedral angle between the benzene and imidazole rings is 30.6 (2)°. In the crystal, molecules are linked into chains parallel to [001] by C—H...O hydrogen bonds. The crystal packing is further consolidated by π–π interactions [centroid–centroid distance = 3.482 (2) Å].

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