scholarly journals 4-Methylbenzylammonium chloride hemihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
R. Aarthi ◽  
A. Thiruvalluvar ◽  
C. Ramachandra Raja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Twofold Axis ◽  
Hydrated Salt ◽  
Dimensional Network

In the title hydrated salt, C8H12N+·Cl−·0.5H2O, the water O atom lies on a crystallographic twofold axis. In the crystal, the cation, anion and water molecule are linked to one anotherviaC—H...Cl, O—H...Cl, N—H...O and N—H...Cl hydrogen bonds. The crystal structure is further stabilized by two weak C—H...π interactions involving the benzene ring to form a three-dimensional network.

scholarly journals Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m53-m53 ◽  
Author(s):  
E. Govindan ◽  
Subramani Thirumurugan ◽  
Ayyakannu Sundaram Ganeshraja ◽  
Krishnamoorthy Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water molecule and the tetrahedral tetrachloridozincate anionviaN—H...O, O—H...Cl and N—H...Cl hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...Cl hydrogen bonds and a number of π–π interactions [centroid–centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N—H...N interaction.

scholarly journals 4-Methoxybenzylammonium nitrate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
P. Umarani ◽  
A. Thiruvalluvar ◽  
C. Ramachandra Raja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
General Position ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Nitrate Anion ◽  
Π Interactions ◽  
Dimensional Network

In the title salt, C8H12NO+·NO3−, the 4-methoxybenzylammonium cation lies in the mirror planemof space groupPnmaand is thus planar by symmetry. The nitrate anion is also planar by symmetry, with an N...;O group in the mirror plane and one O atom in a general position. The dihedral angle between the benzene ring and the planar nitrate anion is constrained to be exactly 90°, because of the relative special positions for both ions. In the crystal, the cations are connected to the anions by C—H...O, C—H...N, N—H...N and N—H...O hydrogen bonds. Further, the crystal structure also features two C—H...π interactions involving the benzene ring of the cation, forming a three-dimensional network.

scholarly journals Crystal structure of 8-hydroxyquinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (4) ◽  
pp. o261-o262 ◽  
Author(s):  
M. Divya Bharathi ◽  
G. Ahila ◽  
J. Mohana ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Carboxylate Group ◽  
Hydrated Salt ◽  
Dimensional Network

In the title hydrated salt, C9H8NO+·C8H4NO6−·H2O, the deprotonated carboxylate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxylate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N—H...O and O—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by C—H...O and π–π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] interactions, which result in a three-dimensional network.

scholarly journals Crystal structure of the diglycidyl ether of eugenol

2017 ◽  
Vol 73 (5) ◽  
pp. 694-697
Author(s):  
Jordan Vigier ◽  
Camille François ◽  
Sylvie Pourchet ◽  
Gilles Boni ◽  
Laurent Plasseraud ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Diglycidyl Ether ◽  
Π Interactions ◽  
Dimensional Network

The diepoxy monomer, C13H16O4{DGE-Eu; systematic name: 2-[3-methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane}, was synthesized from eugenol by a three-step reaction. It consists of a 1,2,4-trisubstituted benzene ring substituted by diglycidyl ether, a methoxy group and a methyloxirane group. The three-membered oxirane rings are inclined to the benzene ring by 61.0 (3) and 27.9 (3)°. The methylene C atom of one of the two terminal epoxide rings is positionally disordered [refined occupancy ratio = 0.69 (1):0.31 (1)]. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming layers parallel to theabplane. The layers are linked by C—H...π interactions, forming a three-dimensional network.

scholarly journals (4-Methylphenyl)methanaminium bromide hemihydrate

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
R Aarthi ◽  
A Thiruvalluvar ◽  
C Ramachandra Raja
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Π Interactions ◽  
Twofold Axis ◽  
Hydrated Salt ◽  
Dimensional Network

In the title hydrated salt, C8H12N+·Br−·0.5H2O, which is isostructural with its chloride congener, the water O atom lies on a crystallographic twofold axis. In the crystal, the components are linkedviaC—H...Br, O—H...Br, N—H...Br and N—H...O hydrogen bonds to generate (100) sheets. The sheets are linked by two weak C—H...π interactions, generating a three-dimensional network.

scholarly journals Crystal structure of 4-(dimethylamino)pyridinium 4-aminobenzoate dihydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o26-o27
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, C7H11N2+·C7H6NO2−·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2−group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H...O hydrogen bond to the anion and the anion forms two N—H...O hydrogen bonds to adjacent water molecules. Both water molecules form two O—H...O hydrogen bonds to carboxylate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H...π interactions are also observed.

Bis[4-fluoro-N-(quinolin-8-yl)benzenesulfonamidato-κ2 N,N′]zinc(II) hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. m1719-m1721 ◽  
Author(s):  
Luiz Everson da Silva ◽  
Antonio Carlos Joussef ◽  
Sabine Foro ◽  
Boris Schmidt
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Tetrahedral Geometry ◽  
Special Position ◽  
Twofold Axis ◽  
Distorted Tetrahedral Geometry ◽  
Dimensional Network

In the title compound, [Zn(C15H10FN2O2 S)2]·0.5H2O, the Zn atom has a distorted tetrahedral geometry, formed by the N atoms of the quinoline and the sulfonamide groups. The water molecule occupies a special position on a twofold axis. Intermolecular C—H...O hydrogen bonds to the sulfonyl O atoms link the molecules into a three-dimensional network.

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1609-o1609
Author(s):  
P. K. Sivakumar ◽  
M. Krishna Kumar ◽  
G. Chakkaravarthi ◽  
R. Mohan Kumar ◽  
R. Kanagadurai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Carboxyl Group ◽  
Hydrated Salt ◽  
Dimensional Network ◽  
Hydroxy Groups ◽  
Ring Motif

In the title hydrated salt, C6H7N2O2+·C7H5O6S−·H2O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—H...O hydrogen bond with anS(6) ring motif is formed between the carboxyl and hydroxy groups; the dihedral angle between the carboxyl group and the benzene ring is 8.76 (8)°. The crystal structure exhibits intermolecular N—H...O, O—H...O, C—H...O, and π–π [centroid–centroid distances = 3.6634 (9) and 3.7426 (9) Å] interactions to form a three-dimensional network.

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

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