scholarly journals 1-Ethyl-3-methyl-1H-imidazol-3-ium spiropentaborate

2014 ◽  
Vol 70 (2) ◽  
pp. o171-o172 ◽  
Author(s):  
T. Gannon Parker ◽  
Divya Pubbi ◽  
Austin Beehler ◽  
Thomas E. Albrecht-Schmitt
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Boat Conformation ◽  
Imidazolium Cation ◽  
Ethyl Group ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network

In the anion of the title compound, (C6H11N2)[B5O6(OH)4], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H...O hydrogen bonds, forming channels along thea-axis direction. The cations are situated in the channels, forming C—H...O hydrogen bonds with the anions.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

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 3-Methylbenzo[1,2-c:5,4-c′]dichromen-6(8H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o838-o838
Author(s):  
M. Kayalvizhi ◽  
G. Vasuki ◽  
Adil I. Khatri ◽  
Shriniwas D. Samant
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The title compound, C21H14O3, crystallizes with eight independent molecules (A–H) in the asymmetric unit which are arranged in four groups of two molecules each (AB,CD,EFandGH). In each molecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, molecules stack in two columns, along the [10-1] direction, composed of moleculesC,B,EandG, andD,A,FandH. MoleculesAandFare linkedviaC—H...O hydrogen bonds. In addition, there are a number of C—H...π contacts present involving all of the molecules. These interactions result in the formation of a three-dimensional network.

scholarly journals 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Jianchao Xu ◽  
Hewen Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C19H20N4OS, the 1,2,4-triazole ring forms dihedral angles of 58.64 (9) and 87.68 (9)° with the phenyl rings, which are inclined to one another by 43.30 (6)°. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...S hydrogen bonds, forming chains propagating along thec-axis direction. Neighbouring chains are linked by three C—H...π interactions, forming layers parallel to thebcplane. Finally, the layers are linked by a fourth C—H...π interaction, forming a three-dimensional network.

scholarly journals 1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine

IUCrData ◽  
2018 ◽  
Vol 3 (12) ◽  
Author(s):  
Martha Höhne ◽  
Bhaskar R. Aluri ◽  
Anke Spannenberg ◽  
Bernd H. Müller ◽  
Normen Peulecke ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrazine Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centrosymmetric Dimers

The title compound, C24H22N2OP2, is an asymmetrically substituted hydrazine derivative bearing a phosphoryl and a phosphanyl substituent. The PNNP backbone has a torsion angle of −131.01 (8)°. In the crystal, molecules form centrosymmetric dimers by intermolecular N—H...O hydrogen bonds, which are further linked into a three-dimensional network by weak C—H...O and C—H...π interactions.

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 Diethyl 4-(3-chlorophenyl)-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
F. M. Mashood Ahamed ◽  
M. Syed Ali Padusha ◽  
B. Gunasekaran
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Dihydropyridine Ring

In the title compound, C24H24ClNO4, the dihydropyridine ring adopts a flattened boat conformation. The plane of the pyridine ring subtends dihedral angles of 74.54 (6) and 85.69 (5)° with those of the phenyl and chlorophenyl rings, respectively. The dihedral angle between the planes of the chlorophenyl and phenyl rings is 72.20 (7)°. In the crystal, molecules are linked into [100]C(6) chains by N—H...O hydrogen bonds. The chains are cross-linked by weak C—H...O interactions to generate a three-dimensional network.

scholarly journals β-D-Gulose

2014 ◽  
Vol 70 (5) ◽  
pp. o569-o569 ◽  
Author(s):  
Tomohiko Ishii ◽  
Shunsuke Ohga ◽  
Kazuhiro Fukada ◽  
Kenji Morimoto ◽  
Genta Sakane
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups ◽  
Ring Motif

The title compound, C6H12O6, a C-3 position epimer of D-galactose, crystallized from an aqueous solution, was confirmed as β-D-pyranose with a4C1(C1) conformation. In the crystal, O—H...O hydrogen bonds between the hydroxy groups at the C-1 and C-6 positions connect molecules into a tape structure with anR33(11) ring motif running along thea-axis direction. The tapes are connected by further O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 2-Nitrobenzyl methanesulfonate

2014 ◽  
Vol 70 (5) ◽  
pp. o616-o616 ◽  
Author(s):  
Venkatramu Anuradha ◽  
S. Madan Kumar ◽  
B. P. Siddaraju ◽  
N. K. Lokanath ◽  
P. Nagendra
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C8H9NO5S, the dihedral angle between the benzene ring and the nitro group is 5.86 (15)° and the C—C—O—S group adopts ananticonformation [torsion angle = −168.44 (15)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network.

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