scholarly journals 1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1623-o1624 ◽  
Author(s):  
Suchada Chantrapromma ◽  
Pumsak Ruanwas ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Water Molecules ◽  
Π Interactions ◽  
Hydrated Salt ◽  
Benzene Rings ◽  
Methoxy Substituent

In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, the cation exists in anEconformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The methoxy substituent deviates slightly from the plane of its attached benzene ring [Cmethyl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water molecules are linked together into chains along [010] by O—H...O hydrogen bonds and weak C—H...O interactions. There is a short Br...O contact [3.029 (2) Å]. The crystal structure also features C—H...π interactions involving the benzene ring of the anion.

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 1-Piperonylpiperazinium 4-nitrobenzoate monohydrate

2014 ◽  
Vol 70 (3) ◽  
pp. o270-o271 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Chair Conformation ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Hydrated Salt ◽  
Benzene Rings

In the title hydrated salt [systematic name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium 4-nitrobenzoate monohydrate], C12H17N2O2+·C7H4NO4−·H2O, the piperazinium ring of the cation adopts a slightly distorted chair conformation. The piperonyl and piperazine rings are rotated with respect to each other with an N—C—C—C torsion angle of 45.6 (2)°. In the anion, the nitro group is almost coplanar with the adjacent benzene ring, forming a dihedral angle of only 3.9 (4)°. In the crystal, the cations, anions and water molecules are linked through N—H...O and O—H...O hydrogen bonds into chains along theaaxis. In addition, weaker intermolecular C—H...O interactions are also observed within the chains. The anions form centrosymmetric couples through π-stacking interactions, with an intercentroid distance of 3.681 (4) Å between the benzene rings.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1158-o1159 ◽  
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
K. Prathebha ◽  
J. Jovita ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Two Component ◽  
Benzene Rings

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The methoxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C...;C torsion angle of 5.5 (9)°. In the crystal, molecules are linked by O—H...O and bifurcated O—H...(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

scholarly journals Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (2) ◽  
pp. o119-o120
Author(s):  
D. Shanthi ◽  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C21H15NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the molecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, molecules are linkedviaC—H...π interactions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

scholarly journals Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate

2015 ◽  
Vol 71 (4) ◽  
pp. o224-o224 ◽  
Author(s):  
Qi Quo ◽  
Liangru Yang ◽  
Pu Mao ◽  
Yongmei Xiao ◽  
Jinwei Yuan
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Water Molecules ◽  
Bond Lengths ◽  
Hydrated Salt ◽  
Benzene Rings

In the title hydrated salt, C19H24N3+·Br−·H2O, the values of the N—C bond lengths within the tetrahydropyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water molecules are linked by O—H...Br, O—H...N, C—H...Br and C—H...O hydrogen bonds into chains running parallel to thebaxis.

scholarly journals 4-Methoxy-N-(4-nitrobenzyl)aniline

2012 ◽  
Vol 68 (4) ◽  
pp. o988-o988
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Indresh Kumar ◽  
Nisar A. Mir ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C14H14N2O3, the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring ispara-substituted by the aminomethylene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions are also observed.

scholarly journals Crystal structure of [(2S,3R)-3-hydroxy-3-phenylbutan-2-yl]pyrrolidinium chloride

2015 ◽  
Vol 71 (10) ◽  
pp. o758-o758
Author(s):  
Abirami Kandhaswamy ◽  
K.S. Meena ◽  
S. Deepa ◽  
S. Murugavel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Molecular Salt

In the title molecular salt, C14H22NO+·Cl−, the pyrrolidinium ring adopts a twisted conformation about one of the N—C bonds. It is oriented at a dihedral angle of 42.0 (1)° with respect to the benzene ring. The torsion angle for the central N—C—C—Car(ar = aromatic) linkage is 163.74 (15)°. In the crystal, the components are linkedviaN—H...Cl and O—H...Cl hydrogen bonds, forming zigzig chains along theb-axis direction. These chains are connected along thecaxis by very weak C—H...π interactions, forming a two-dimensional supramolecular network.

scholarly journals 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o657-o658 ◽  
Author(s):  
Nallathambi Dhanabalan ◽  
Kaliyaperumal Thanigaimani ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak ◽  
K. Joseph Santhanaraj
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Π Interactions ◽  
Hydrated Salt

The asymmetric unit of the title hydrated salt, C13H11N2+·C7H6NO2−·2H2O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N—H...O hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N—H...N and N—H...O hydrogen bonds. The water molecules, which form O—H...O hydrogen-bonded chains along theb-axis direction, connect the anions and the cations by O—H...O, N—H...O and C—H...O hydrogen bonds. The crystal structure also features π–π interactions [centroid–centroid distances = 3.6343 (9)–3.8366 (10) Å] and a C—H...π interaction.

scholarly journals Crystal structure of (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o65-o66 ◽  
Author(s):  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
D. Shanthi ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Rectangular Tubes

In the title compound, C22H17NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, molecules are linked by two weak C—H...π interactions, forming rectangular tubes propagating along theb-axis direction.

scholarly journals (E)-1-([1,1′-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (7) ◽  
pp. o809-o810 ◽  
Author(s):  
D. Shanthi ◽  
T. Vidhya Sagar ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
A. Thiruvalluvar
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C22H18O, theo-tolyl ring is connected through a conjugated double bond. The molecule adopts anEconformation and the C—C=C—C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)°. The dihedral angle between the benzene rings is 14.10 (7)°. There are three weak C—H...π interactions found in the crystal structure. No classic hydrogen bonds are observed.

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