scholarly journals Crystal structure ofN,N′-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride

2016 ◽  
Vol 72 (12) ◽  
pp. 1728-1730
Author(s):  
Suk-Hee Moon ◽  
Hansu Im ◽  
Tae Ho Kim ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Chloride Anion ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
The Mean

The title salt, C18H26N42+·2Cl−, was obtained by the protonation ofN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diamine with hydrochloric acid in ethanol. The asymmetric unit consists of one half of anN,N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dication, with a crystallographic inversion centre located at the centre of the cyclohexyl ring, and a chloride anion. The central cyclohexyl ring in the dication adopts a chair conformation. The twotrans-(4-pyridine)–CH2–NH2– moieties at the 1- and 4-positions of the central cyclohexyl ring occupy equatorial sites. The terminal pyridine ring is tilted by 53.72 (6)° with respect to the mean plane of the central cyclohexyl ring (r.m.s. deviation = 0.2413 Å). In the crystal, N+—H...Cl−hydrogen bonds between the dications and the chloride anions, and π–π stacking interactions between the pyridine rings of the dications afford a two-dimensional sheet extending parallel to theabplane. These sheets are further connected through weak C—H...Cl−hydrogen bonds, resulting in the formation of a three-dimensional supramolecular network.

scholarly journals Crystal structure ofN,N′-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate

2016 ◽  
Vol 72 (10) ◽  
pp. 1453-1455 ◽  
Author(s):  
Suk-Hee Moon ◽  
Donghyun Kang ◽  
Ki-Min Park
Keyword(s):  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Chloride Anion ◽  
Water Molecules ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Dimensional Network ◽  
The Mean

Treatment ofN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diamine with hydrochloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl−·2H2O, which lies about a crystallographic inversion center at the center of the cyclohexyl ring. The asymmetric unit therefore comprises one half of theN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dication, a chloride anion, and a solvent water molecule. In the dication, the twotrans-(4-pyridine)–CH2–NH2– moieties occupy equatorial sites at the 1- and 4-positions of the central cyclohexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclohexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water molecules are connectedviaN/C/O—H...Cl and N—H...O hydrogen bonds together with C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 4-({5-[(E)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl

2015 ◽  
Vol 71 (7) ◽  
pp. 864-866
Author(s):  
Ramazan Tatsız ◽  
Veli T. Kasumov ◽  
Tuncay Tunc ◽  
Tuncer Hökelek
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent molecules. In one molecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other molecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two molecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N—O bonds. An intramolecular O—H...N hydrogen bond between the hydroxy group and the imine N atom is observed in both molecules. In the crystal, weak C—H...O and C—H...F hydrogen bonds, enclosingR22(6) ring motifs, and weak π–π stacking interactions link the molecules into a three-dimensional supramolecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent molecules of 3.975 (2) and 3.782 (2) Å.

scholarly journals 2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o577-o578 ◽  
Author(s):  
Ying Shuai ◽  
Xiang-Yang Wang ◽  
Jing-Wei Dai ◽  
Jian-Zhong Wu
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Carboxyl Group ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Ring Plane ◽  
Compound C

In the title compound, C20H13N5O2, the two pyrazine rings are nearly coplanar with the central pyridine ring, forming dihedral angles of 2.21 (9) and 4.57 (9)°. In contrast, the strong steric hindrance caused by theortho-carboxyl group on the phenyl ring makes this ring rotate out of the attached pyridine ring plane by 52.60 (9)°. The carboxyl group is twisted from the phenyl ring by 22.6 (1)°. In the crystal, aromatic π–π stacking interactions [centroid–centroid distances = 3.9186 (4) and 3.9794 (5) Å] occur between the antiparallel molecules, generating infinite chains along [100]. O—H...O hydrogen bonds connect the chains, leading to the formation of a two-dimensional supramolecular network parallel to (010). Intermolecular C—H...N hydrogen bonds are also observed.

scholarly journals (4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
A. Benosmane ◽  
D. A. Rouag ◽  
A. Mili ◽  
H. Merazig ◽  
M. A. Benaouida
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The crystal structure of the title compound, C16H13N3O3S, shows that the two independent zwitterions in the asymmetric unit are approximately planar. Intramolecular N—H...O hydrogen bonds occur and the aromatic rings have atransconfiguration with respect to the azo double bond. In the crystal, the molecules are linkedviaN—H...O hydrogen bonds and π–π stacking, forming a three-dimensional supramolecular network, the π–π stacking interactions between adjacent benzene and naphthalene rings having centroid-to-centroid distances of 3.764 (3) and 3.775 (3) Å.

scholarly journals N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide

2014 ◽  
Vol 70 (7) ◽  
pp. o771-o771 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
Sathya Shanmugam ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers. C—H...O interactions further link the molecules, forming a three-dimensional supramolecular network.

scholarly journals 5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carbonitrile

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Etify A. Bakhite ◽  
Elham A. Al-Taifi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Independent Molecule ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H15N3O2S, comprises two independent molecules, which differ primarily in the orientations of the acetyl andp-anisyl substituents, each being rotated in opposite directions from the mean plane of the pyridine ring. The major feature of the molecular packing is the formation of a two-dimensional network parallel to the (110) plane, being mediated by amine-N—H...O(carbonyl) hydrogen bonds involving one amine H atom of each independent molecule. The remaining amine-H atoms form significantly weaker N—H...O(methoxy) interactions.

scholarly journals 2-Amino-6-(piperidin-1-yl)-4-p-tolylpyridine-3,5-dicarbonitrile

2013 ◽  
Vol 69 (12) ◽  
pp. o1807-o1807
Author(s):  
S. Antony Inglebert ◽  
Jayabal Kamalraja ◽  
K. Sethusankar ◽  
Gnanasambandam Vasuki
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H19N5, the piperidine ring adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.039 (2) Å for a C atom substituted with a carbonitrile group. The mean plane of the central pyridine ring makes the dihedral angles of 37.90 (14) and 56.10 (12)° with the piperidine and benzene rings, respectively. In the crystal, molecules are linkedviaN—H...N and C—H...N hydrogen bonds, forming chains along [101], and enclosingR22(17) ring motifs. The chains are linked by further C—H...N hydrogen bonds, forming two-dimensional networks lying parallel to (10-1), and enclosing inversion dimers withR22(20) ring motifs.

scholarly journals 5-(5-Chloro-2-hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Srinivasan Bargavi ◽  
Nataraj Poomathi ◽  
Narayanan Uma Maheswari ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C13H9ClN2O5, the dihedral angle between the planes of the benzene and pyridine rings is 55.30 (13)°. The nitro group is tilted by 38.21 (10)° with respect to the mean plane of the pyridine ring. In the crystal, molecules are linked by O—H...O and C—H...O hydrogen bonds, forming a three-dimensional framework. The crystal packing is further stabilized by π–π stacking interactions [intercentroid distance = 3.5877 (17) Å].

scholarly journals Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ2N3,O]cobalt(II)

2014 ◽  
Vol 70 (11) ◽  
pp. m363-m364 ◽  
Author(s):  
Yan Fan ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title CoIIcomplex, [Co(C13H8BrN2O)2], contains two independent molecules (AandB). In both molecules, the CoIIcation isN,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In moleculeA, both chelating rings display an envelope conformation, with the flap Co atom lying 0.614 (6) and 0.483 (6) Å from the mean planes of the remaining atoms. In moleculeB, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, molecules are linked by classical N—H...O hydrogen bonds and weak C—H...O and C—H...Br hydrogen bonds into a three-dimensional supramolecular network. Extensive π–π stacking is observed between nearly parallel aromatic rings of adjacent molecules with centroid–centroid distances in the range 3.407 (3)–3.850 (4) Å.

scholarly journals Crystal structures of 2-benzylamino-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile and 2-benzylamino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (1) ◽  
pp. 12-15
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Two Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compounds, C24H22BrN3, (I), and C24H22ClN3, (II), the 2-aminopyridine ring is fused with a cycloheptane ring, which adopts a half-chair conformation. The planes of the phenyl and benzene rings are inclined to that of the central pyridine ring [r.m.s. deviations = 0.0083 (1) and 0.0093 (1) Å for (I) and (II), respectively] by 62.47 (17) and 72.51 (14)°, respectively, in (I), and by 71.44 (9) and 54.90 (8)°, respectively, in (II). The planes of the aromatic rings are inclined to one another by 53.82 (17)° in (I) and by 58.04 (9)° in (II). In the crystals of both (I) and (II), pairs of N—H...Nnitrilehydrogen bonds link the molecules, forming inversion dimers withR22(12) ring motifs. In (I), the resulting dimers are connected through C—H...Br hydrogen bonds, forming sheets parallel to (10-1), and π–π interactions [inter-centroid distance = 3.7821 (16) Å] involving inversion-related pyridine rings, forming a three-dimensional network. In (II), the resulting dimers are connected through π–π interactions [inter-centroid distance = 3.771 (2) Å] involving inversion-related pyridine rings, forming a two-dimensional network lying parallel to (001).

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