Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]

2007 ◽  
Vol 7 (1) ◽  
pp. 117-123 ◽  
Author(s):  
Oscar Baldovino-Pantaleón ◽  
David Morales-Morales ◽  
Simón Hernández-Ortega ◽  
Rubén A. Toscano ◽  
Jesús Valdés-Martínez
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Rings ◽  
Π Interactions

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 structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate

2017 ◽  
Vol 73 (10) ◽  
pp. 1483-1487
Author(s):  
P. Sivakumar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations

The title salt (I), C6H8N+·C20H17O8−, comprises a 2-methylpyridinium cation and a 2,3-bis(4-methylbenzoyloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8−·5H2O, consists of a pair of 4-methylpyridinium cations and 2,3-bis(4-methylbenzoyloxy)succinate mono-anions and five water molecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion molecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N—H...O, O—H...O and C—H...O hydrogen bonds as well as weak C—H...π interactions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N—H...O and O—H...O hydrogen bonds involving also the water molecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C—H...O and C—H...π interactions.

The peptide NCbz-Val-Tyr-OMe and aromatic π–π interactions

2015 ◽  
Vol 71 (3) ◽  
pp. 211-215 ◽  
Author(s):  
Sumesh Nicholas
Keyword(s):  
Crystal Structure ◽  
Methyl Ester ◽  
Hydrogen Bonds ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Backbone Conformation

The peptideN-benzyloxycarbonyl-L-valyl-L-tyrosine methyl ester or NCbz-Val-Tyr-OMe (where NCbz isN-benzyloxycarbonyl and OMe indicates the methyl ester), C23H28N2O6, has an extended backbone conformation. The aromatic rings of the Tyr residue and the NCbz group are involved in various attractive intra- and intermolecular aromatic π–π interactions which stabilize the conformation and packing in the crystal structure, in addition to N—H...O and O—H...O hydrogen bonds. The aromatic π–π interactions include parallel-displaced, perpendicular T-shaped, perpendicular L-shaped and inclined orientations.

(E)-N′-(4-Chlorobenzylidene)-, (E)-N′-(4-bromobenzylidene)- and (E)-N′-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide

2012 ◽  
Vol 68 (10) ◽  
pp. o408-o412 ◽  
Author(s):  
Ashokkumar Subashini ◽  
Kandasamy Ramamurthi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Aromatic Rings ◽  
Space Group ◽  
Π Interactions ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Derivatives Of

The 4-chloro- [C14H11ClN2O2, (I)], 4-bromo- [C14H10BrN2O2, (II)] and 4-diethylamino- [C18H21N3O2, (III)] derivatives of benzylidene-4-hydroxybenzohydrazide, all crystallize in the same space group (P21/c), (I) and (II) also being isomorphous. In all three compounds, the conformation about the C=N bond isE. The molecules of (I) and (II) are relatively planar, with dihedral angles between the two benzene rings of 5.75 (12) and 9.81 (17)°, respectively. In (III), however, the same angle is 77.27 (9)°. In the crystal structures of (I) and (II), two-dimensional slab-like networks extending in theaandcdirections are formedviaN—H...O and O—H...O hydrogen bonds. The molecules stack head-to-tailviaπ–π interactions involving the aromatic rings [centroid–centroid distance = 3.7622 (14) Å in (I) and 3.8021 (19) Å in (II)]. In (III), undulating two-dimensional networks extending in thebandcdirections are formedviaN—H...O and O—H...O hydrogen bonds. The molecules stack head-to-headviaπ–π interactions involving inversion-related benzene rings [centroid–centroid distances = 3.6977 (12) and 3.8368 (11) Å].

scholarly journals PhenylN-phenylcarbamate

2009 ◽  
Vol 65 (6) ◽  
pp. o1363-o1363 ◽  
Author(s):  
Durre Shahwar ◽  
M. Nawaz Tahir ◽  
M. Sharif Mughal ◽  
Muhammad Akmal Khan ◽  
Naeem Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Polymeric Chains

In the title compound, C13H11NO2, the aromatic rings are oriented at a dihedral angle of 42.52 (12)°. The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along theaaxis. C—H...π interactions between the aromatic rings are also present.

scholarly journals Crystal structure of (1S*,2R*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists

2016 ◽  
Vol 72 (5) ◽  
pp. 683-686
Author(s):  
Bastian Tewes ◽  
Bastian Frehland ◽  
Roland Fröhlich ◽  
Bernhard Wünsch
Keyword(s):  
Crystal Structure ◽  
Nmda Receptor ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Nmda Receptor Antagonists ◽  
Aromatic Rings ◽  
Relative Configuration ◽  
Π Interactions ◽  
Compound C

In the title compound, C25H27NO4S, which crystallized as a racemate, the relative configuration of the adjacent OH and CH3groups on the azepine ring istrans. The seven-membered azepin ring has a chair-like conformation. The planar aromatic rings of the benzyl and tosylate moiety are inclined to the planar 3-benzazepine ring by 78.39 (15) and 77.03 (14)°, respectively, and to each another by 13.82 (15)°. In the crystal, molecules are linkedviaO—H...O and C—H...O hydrogen bonds, forming double-stranded chains along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional architecture.

scholarly journals 9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol

2013 ◽  
Vol 69 (2) ◽  
pp. o175-o175
Author(s):  
Manpreet Kaur ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Nagaraj
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Central Ring ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C21H27NO, contains two molecules (AandB). In moleculeA, the central ring of the anthrone unit adopts a shallow boat conformation and the dihedral angle between the benzene rings is 18.96 (7)°. In moleculeB, the central ring is close to being planar (r.m.s. deviation = 0.078 Å) and the dihedral angle between the aromatic rings is 7.82 (7)°. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming zigzagC(7) chains of alternatingAandBmolecules running parallel to [100]. The structure also features weak C—H...O and C—H...π interactions.

scholarly journals Crystal structure of 4-methyl-N-(4-methylbenzyl)benzenesulfonamide

2020 ◽  
Vol 76 (2) ◽  
pp. 235-238
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Substitution Reaction ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methylbenzylamine and p-toluenesulfonyl chloride. In the crystal, N—H...O hydrogen bonds link the molecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two intermolecular C—H...π interactions that link these hydrogen-bonded ribbons into a three-dimensional network.

scholarly journals 2-Methylbenzene-1,3-diammonium dinitrate

2014 ◽  
Vol 70 (2) ◽  
pp. o204-o204 ◽  
Author(s):  
Dhouha Ben Hassen ◽  
Walid Rekik ◽  
Houcine Naïli ◽  
Tadeusz Lis ◽  
Roman Grobelny
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Nitrate Ions ◽  
Dimensional Network ◽  
Protonated Amine ◽  
Centroid Distance ◽  
Amine Groups

In the crystal structure of the title salt, C7H12N22+·2NO3−, the nitrate ions are located in the vicinity of the protonated amine groups, accepting strong N—H...O hydrogen bonds. Each ammonium group is involved in a total of three such interactions with neighbouring nitrate ions, generating a three-dimensional network. In addition, there are π–π interactions between the aromatic rings of centrosymmetrically related diammonium moieties, with a centroid–centroid distance of 3.682 (1) Å.

scholarly journals 7-Chloro-4-[(E)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline

2012 ◽  
Vol 68 (4) ◽  
pp. o1244-o1245 ◽  
Author(s):  
Marcus V. N. de Souza ◽  
Marcelle de Lima Ferreira ◽  
Solange M. S. V. Wardell ◽  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Supramolecular Chains

In the nearly planar title compound (r.m.s. deviation for the 24 non-H atoms = 0.064 Å), C18H16ClN3O2, the conformation about the N=C bond isE. Supramolecular chains propagated by glide symmetry along [001] are found in the crystal packing. These are sustained by N—H...N hydrogen bonds with the quinoline N atom being the acceptor. The chains are connected into a three-dimensional architecture by π–π interactions involving all three aromatic rings [centroid–centroid distances = 3.5650 (9)–3.6264 (9) Å].

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