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 Tramadolium 2-chlorobenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
S. N. Sheshadri ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. Byrappa ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Axial Orientation ◽  
Hydroxyl Group ◽  
Carboxylate Group ◽  
Π Interactions ◽  
Molecular Salt

In the title molecular salt, C16H26NO2+·C7H4ClO2−, {systematic name: [2-hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylammonium 2-chlorobenzoate}, the cyclohexane ring of the cation exhibits a chair conformation with the aromatic and amine substituents in equatorial orientations and the hydroxyl group in an axial orientation. In the anion, the dihedral angle between the aromatic ring and the carboxylate group is 39.16 (13)°. In the crystal, the cations are linked to the anions by O—H...O, N—H...O and C—H...O hydrogen bonds, generating [010] chains. Further C—H...O and C—H...π interactions are also observed, which link the chains into a three-dimensional framework.

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 [2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3-diyl]bis[(pyridin-2-yl)methanone]–butan-2-one (1/1)

2012 ◽  
Vol 68 (6) ◽  
pp. o1633-o1634 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Chin Wei Ooi ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzene Rings ◽  
A Chain

In the title solvate, C47H37N3O3·C4H8O, the cyclohexane ring adopts a chair conformation and the plane through its near coplanar atoms forms dihedral angles of 82.58 (7), 89.27 (7), 60.30 (8), 54.54 (7) and 72.03 (7)°, respectively, with the three pyridine rings and the two attached benzene rings. The rings of the biphenyl units are twisted from each other, making dihedral angles of 35.27 (7) and 45.41 (7)°. All the rings are in equatorial orientations in the cyclohexane ring, except for the C=O-bonded pyridine ring in position 1, which is axial. Intramolecular O—H...N and C—H...O hydrogen bonds form one S(5) and three S(6) ring motifs. In the crystal, molecules are linked via C—H...O hydrogen bonds into a chain along the c axis. The crystal structure also features weak C—H...π interactions and aromatic π–π stacking [centroid–centroid distances = 3.5856 (10) and 3.7090 (9) Å].

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals 3,5-Dichloro-N-(4-methylphenyl)benzenesulfonamide

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
K. Shakuntala ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C13H11Cl2NO2S, is U-shaped with the central C—S—N—C segment having a torsion angle of 67.2 (4)°. The dihedral angle between the benzene rings is 57.0 (2)°. In the crystal, molecules are linked via N—H...O and C—H...O hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.

scholarly journals 2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione

2014 ◽  
Vol 70 (3) ◽  
pp. o287-o287
Author(s):  
Mi Zhou ◽  
Ying Shao ◽  
Yong-an Xia ◽  
Xiao-Long Liu ◽  
Xiao-Qiang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Piperazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H19N3O2, the piperazine ring adopts a chair conformation, with its N—C bonds in pseudo-equatorial orientations. The dihedral angle between the C atoms of the piperazine ring and the phthalamide ring system (r.m.s. deviaiton = 0.008 Å) is 89.30 (8)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network and aromatic π–π interactions also occur [centroid–centroid distances = 3.556 (1)–3.716 (1) Å].

scholarly journals Crystal structure of (E)-N′-benzylidene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide

2014 ◽  
Vol 70 (9) ◽  
pp. o995-o995
Author(s):  
Zhijun Wang ◽  
Chengyong Zhou ◽  
Lei Yan ◽  
Jinglin Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C13H12N4O3, the dihedral angle between the planes of the pyrrole and benzene rings is 7.47 (1)°. In the crystal, molecules are arranged in sheets lying parallel to (101). Neighbouring sheets are linked by N—H...O hydrogen bonds, weak π–π [centroid–centroid distance between the pyrrole rings = 3.765 (11) Å] and C—H...π interactions, forming a three-dimensional structure.

scholarly journals 1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1H-1λ4,11λ4-1,3,5,2-oxadiazaborinino[3,4-a][1,8]naphthyridine

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Bang Zhong Wang ◽  
Yong Zhou ◽  
Jun Ping Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Compound C

In the title compound, C20H13BF2N4O, the central fused three-ring oxadiazaborininonaphthyridine system is planar (r.m.s. deviation of 0.03 Å). The phenyl ring lies in the plane of this ring system, making a dihedral angle of 0.61 (14)°, and is inclined to the pyridine ring by 9.02 (19)°. In the crystal, molecules are connected by C—H...F hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by offset π–π interactions [intercentroid distance = 3.4550 (13) Å], forming a three-dimensional supramolecular architecture.

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