scholarly journals Crystal structures ofN-(3-fluorobenzoyl)benzenesulfonamide andN-(3-fluorobenzoyl)-4-methylbenzenesulfonamide

2016 ◽  
Vol 72 (4) ◽  
pp. 428-431
Author(s):  
P. A. Suchetan ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
H. N. Lakshmikantha ◽  
K. S. Srivishnu ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
One Dimensional ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzene Rings

The crystal structures of twoN-(arylsulfonyl)arylamides, namelyN-(3-fluorobenzoyl)benzenesulfonamide, C13H10FNO3S, (I), andN-(3-fluorobenzoyl)-4-methylbenzenesulfonamide, C14H12FNO3S, (II), are described and compared with related structures. The dihedral angle between the benzene rings is 82.73 (10)° in (I) compared to 72.60 (12)° in (II). In the crystal of (I), the molecules are linked by C—H...O and C—H...π interactions, resulting in a three-dimensional grid-like architecture, while C—H...O interactions lead to one-dimensional ribbons in (II). The crystals of both (I) and (II) feature strong but non-structure-directing N—H...O hydrogen bonds withR22(8) ring motifs. The structure of (I) also features π–π stacking interactions.

scholarly journals tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

scholarly journals Crystal structures of 4-methoxy-N-(4-methylphenyl)benzenesulfonamide andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide

2015 ◽  
Vol 71 (11) ◽  
pp. 1388-1391
Author(s):  
Vinola Z. Rodrigues ◽  
C. P. Preema ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Ring Form ◽  
Benzene Rings

Crystal structures of twoN-(aryl)arylsulfonamides, namely, 4-methoxy-N-(4-methylphenyl)benzenesulfonamide, C14H15NO3S, (I), andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzenesulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N—H...O hydrogen bonds form infiniteC(4) chains extended in [010], and intermolecular C—H...πarylinteractions link these chains into layers parallel to theabplane. The crystal structure of (II) features N—H...O hydrogen bonds forming infinite one dimensionalC(4) chains along [001]. Further, a pair of C—H...O intermolecular interactions consolidate the crystal packing of (II) into a three-dimensional supramolecular architecture.

scholarly journals Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives

2018 ◽  
Vol 74 (3) ◽  
pp. 380-384
Author(s):  
Luis F. B. Osorio ◽  
Samir A. Carvalho ◽  
Edson F. da Silva ◽  
Carlos A. M. Fraga ◽  
Solange M. S. V. Wardell ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Molecular Conformations ◽  
Π Stacking ◽  
Conformational Energy Calculations

The crystal structures of (E)-1-methyl-5-nitro-1H-imidazole-2-carbaldehydeO-benzyloxime, C12H12N4O3, (I), (E)-1-methyl-5-nitro-1H-imidazole-2-carbaldehydeO-(4-fluorobenzyl) oxime, C12H11FN4O3, (II), and (E)-1-methyl-5-nitro-1H-imidazole-2-carbaldehydeO-(4-bromobenzyl) oxime, C12H11BrN4O3, (III), are described. The dihedral angle between the ring systems in (I) is 49.66 (5)° and the linking Nm—C—C=N (m = methylated) bond shows ananticonformation [torsion angle = 175.00 (15)°]. Compounds (II) and (III) are isostructural [dihedral angle between the aromatic rings = 8.31 (5)° in (II) and 5.34 (15)° in (III)] and differ from (I) in showing a near-synconformation for the Nm—C—C=N linker [torsion angles for (II) and (III) = 17.64 (18) and 8.7 (5)°, respectively], which allows for the occurrence of a short intramolecular C—H...N contact. In the crystal of (I), C—H...N hydrogen bonds link the molecules into [010] chains, which are cross-linked by very weak C—H...O bonds into (100) sheets. Weak aromatic π–π stacking interactions occur between the sheets. The extended structures of (II) and (III) feature several C—H...N and C—H...O hydrogen bonds, which link the molecules into three-dimensional networks, which are consolidated by aromatic π–π stacking interactions. Conformational energy calculations and Hirshfeld fingerprint analyses for (I), (II) and (III) are presented and discussed.

[2,5-Bis(2,2′-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C—H...Cl hydrogen bonds and π–π stacking interactions

2014 ◽  
Vol 70 (7) ◽  
pp. 718-721
Author(s):  
Zhengliang Lu ◽  
Yuanchao Zhao ◽  
Baolian Chen ◽  
Ximing Huang ◽  
Chunhua Fan
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Dimensional Chain ◽  
Supramolecular Framework ◽  
One Dimensional ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Square Pyramidal Geometry ◽  
Multifunctional Ligand

The title compound, [MnCl2(C24H20N6)], has been synthesized and characterized based on the multifunctional ligand 2,5-bis(2,2′-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene (L). The MnIIcentre is five-coordinate with an approximately square-pyramidal geometry. TheLligand acts as a tridendate chelating ligand. The mononuclear molecules are bridged into a one-dimensional chain by two C—H...Cl hydrogen bonds. These chains are assembled into a two-dimensional layer through π–π stacking interactions between adjacent uncoordinated bipyridyl groups. Furthermore, a three-dimensional supramolecular framework is attained through π–π stacking interactions between adjacent coordinated bipyridyl groups.

scholarly journals (±)-trans-6,6′-Diethoxy-2,2′-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. o182-o183 ◽  
Author(s):  
Nithya Mohan ◽  
S. S. Sreejith ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Organic Molecule ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Supramolecular Architecture ◽  
Double Bonds ◽  
Π Interactions ◽  
Benzene Rings

In the title hydrate, C24H30N2O4·H2O, the organic molecule adopts anEconformation with respect to the azomethine double bonds. The cyclohexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6 (2)°. Two intramolecular O—H...N hydrogen bonds are present. In the crystal, the components are linked by O–H...O hydrogen bonds and weak C—H...π interactions, generating a three-dimensional supramolecular architecture.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals Different N—H...π interactions in two indole derivatives

2016 ◽  
Vol 72 (5) ◽  
pp. 699-703 ◽  
Author(s):  
Jamie R. Kerr ◽  
Laurent Trembleau ◽  
John M. D. Storey ◽  
James L. Wardell ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Intermolecular Interaction ◽  
Aromatic Ring ◽  
Stacking Interactions ◽  
Indole Derivatives ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Π Stacking

We describe the syntheses and crystal structures of two indole derivatives, namely 6-isopropyl-3-(2-nitro-1-phenylethyl)-1H-indole, C19H20N2O2, (I), and 2-(4-methoxyphenyl)-3-(2-nitro-1-phenylethyl)-1H-indole, C23H20N2O3, (II); the latter crystallizes with two molecules (AandB) with similar conformations (r.m.s. overlay fit = 0.139 Å) in the asymmetric unit. Despite the presence of O atoms as potential acceptors for classical hydrogen bonds, the dominant intermolecular interaction in each crystal is an N—H...π bond, which generates chains in (I) andA+AandB+Binversion dimers in (II). A different aromatic ring acts as the acceptor in each case. The packing is consolidated by C—H...π interactions in each case but aromatic π–π stacking interactions are absent.

scholarly journals catena-Poly[bis(4-methylbenzylammonium) [[dibromidocadmate(II)]-di-μ-bromido]]

IUCrData ◽  
2018 ◽  
Vol 3 (5) ◽  
Author(s):  
Ramkumar Aarthi ◽  
Aravazhi Amalan Thiruvalluvar ◽  
Chidambaram Ramachandra Raja
Keyword(s):  
Hydrogen Bonds ◽  
Mirror Symmetry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Inorganic Hybrid ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzene Rings

The asymmetric unit of the centrosymmetric organic–inorganic hybrid salt, {(C8H12N)2[CdBr4]} n , comprises of one 4-methylbenzylammonium cation and one half of a disordered [CdBr4]2− anion that is completed by application of mirror symmetry. The resulting CdBr6 octahedra share edges to form 2 ∞[CdBr4/2Br2/2]2− layers parallel to the ac plane. Cations and anions are connected by N—H...Br and C—H...Br hydrogen bonds. No π–π stacking interactions are observed between the benzene rings, but C—H...π interactions towards them are found.

scholarly journals N′-[(1E)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
K. R. Roopashree ◽  
Bharathkumar Inturi ◽  
Gurubasavaraj V. Pujar ◽  
S. R. Prem Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

In the title hydrate, C14H13N3O3·H2O, the dihedral angle between the pyridine and benzene rings is 2.52 (9)°. Intramolecular O—H...O hydrogen bonds occur. In the crystal, O—H...O, O—H...N, N—H...O and C—H...O hydrogen bonds link the components into a three-dimensional network. π–π interactions are also observed.

scholarly journals 1-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

2014 ◽  
Vol 70 (4) ◽  
pp. o499-o499
Author(s):  
Pramod P. Kattimani ◽  
Ravindra R. Kamble ◽  
Mahadev N. Kumbar ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intramolecular C—H...O interaction closes anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(8) loops and C—H...O interactions link the dimers into [100] chains. Weak π–π stacking interactions [centroid–centroid distance = 3.644 (1) Å] are also observed.

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