scholarly journals Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Anions And Cations ◽  
Molecular Salt

In the title molecular salt, 2C6H9N2+·C8H3NO62−, the cations are protonated at their pyridine N atoms. The cations and anion are linked by N—H...O and C—H...O hydrogen bonds and a π–π interaction [centroid-to-centroid distance = 3.7299 (13) Å]. In the crystal, N—H...O hydrogen bonds link the anions and cations into an infinite two-dimensional network parallel to (10-1). N—H...O hydrogen bonds generateR12(4),R21(6),R24(18) andR22(11) ring motifs. The structure also features weak C—H...O and C—H...π interactions, which lead to the formation of a three-dimensional network.

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).

scholarly journals 2-Methylpyridinium 2-carboxy-6-nitrobenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Carboxy Group ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Carboxylate Group ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Anions And Cations ◽  
Molecular Salt

In the title molecular salt, C6H8N+·C8H4NO6−, the pyridine ring is protonated at the N atom and the anion is deprotonated at one of the hydroxy O atoms. The dihedral angle between the planes of the benzene and pyridine rings is 8.45 (9)°. In the anion, the deprotonated carboxylate group is twisted at an angle of 73.78 (11)° from the attached benzene ring, whereas the carboxy group is slightly oriented at an angle of 14.98 (10)°. N—H...O and O—H...O hydrogen bonds link the anions and cations into an infinite chain along thecaxis and these chains are further consolidated by C—H...O hydrogen bonds to form a three-dimensional network. The crystals structure is also influenced by weak π–π interactions [centroid–centroid distance = 3.9055 (9) Å].

scholarly journals 2-Amino-4-methylpyridin-1-ium 2-(4-nitrophenyl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
C. Anzline ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C8H6NO4−, the cation is protonated at its pyridine N atom. In the crystal, the anion and cation are connected by weak N—H...O hydrogen bonds, generating anR22(8) ring motif. A pair of N—H...O hydrogen bonds and a C—H...O contact generate anR23(19) ring motif. In the crystal, adjacent anions and cations are linked by N—H...O hydrogen bonds into infinite chains along [001]. The components are further linked by weak C—H...O contacts and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 5,5′-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]

2014 ◽  
Vol 70 (10) ◽  
pp. o1098-o1099 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Title Molecule

In the title molecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—H...O hydrogen bonds link molecules, forming a two-dimensional network parallel to (001) and in combination with weak C—H...O hydrogen bonds, a three-dimensional network is formed. Weak C—H...π interactions and π–π interactions, with a centroid–centroid distance of 3.599 (2) Å are also observed.

scholarly journals 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
P. Sivakumar ◽  
G. Ezhamani ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates anR22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed.

scholarly journals Crystal structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate

2017 ◽  
Vol 73 (10) ◽  
pp. 1483-1487
Author(s):  
P. Sivakumar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations

The title salt (I), C6H8N+·C20H17O8−, comprises a 2-methylpyridinium cation and a 2,3-bis(4-methylbenzoyloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8−·5H2O, consists of a pair of 4-methylpyridinium cations and 2,3-bis(4-methylbenzoyloxy)succinate mono-anions and five water molecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion molecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N—H...O, O—H...O and C—H...O hydrogen bonds as well as weak C—H...π interactions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N—H...O and O—H...O hydrogen bonds involving also the water molecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C—H...O and C—H...π interactions.

scholarly journals 2,3-Dimethylquinazolin-4(3H)-one

2014 ◽  
Vol 70 (7) ◽  
pp. o788-o788
Author(s):  
Fozil E. Saitkulov ◽  
Azamat A. Tashniyazov ◽  
Azimjon A. Mamadrahimov ◽  
Kh. M. Shakhidoyatov
Keyword(s):  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule

The non-H atoms of the title molecule, C10H10N2O, are essentially coplanar, with a maximum deviation of 0.046 (4) Å for the O atom. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along [010]. In addtion, weak C—H...π interactions and π–π stacking interactions between benzene and pyrimidine rings, with a centroid–centroid distance of 3.730 (3) Å, link the chains, forming a two-dimensional network parallel to (001).

scholarly journals 4-Methylanilinium 3-carboxy-2-hydroxypropanoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
S. Kalaiyarasi ◽  
S. Reena Devi ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Carboxylic Acid Groups ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt

The title molecular salt, C7H10N+·C4H5O5−, contains a 4-methylanilinium cation and a 3-carboxy-2-hydroxypropanoate (hydrogen 2-hydroxysuccinate) anion in the asymmetric unit. The cation is protonated at the amine N atom and the anion is deprotonated at one of the hydroxy O atoms of the carboxylic acid groups. An O—H...O hydrogen bond in the anion generates anS(5) graph-set motif. An N—H...O hydrogen bond links the anion and cation in the asymmetric unit. In the crystal, N—H...O and O—H...O hydrogen bonds link adjacent anions and cations, forming a two-dimensional network parallel to theacplane and enclosingR23(12),R23(14) andR32(10) ring motifs.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

Bis[μ-2-(3-pyridyl)-1H-benzimidazole-κ2 N:N′]disilver(I) dinitrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2820-m2820
Author(s):  
Chang-Kun Xia ◽  
Wen Wu ◽  
Qiu-Yun Chen ◽  
Ji-Min Xie
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Binuclear Complex ◽  
Three Dimensional ◽  
Cyclic Dimer ◽  
Hydrothermal Conditions ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Nitrate Anions

The title compound, [Ag2(C12H9N3)2](NO3)2, was prepared under hydrothermal conditions. The structure consists of binuclear complex cations and nitrate anions. The two AgI atoms, each in a geometry somewhat distorted from linear, are bridged by two 2-(3-pyridyl)benzimidazole ligands via pyridyl and imidazole N atoms, forming a centrosymmetric cyclic dimer. A three-dimensional network is constructed via N—H...O hydrogen bonds and weak Ag...O interactions [Ag...O = 2.686 (13)–2.847 (7) Å], as well as by offset π–π interactions between the pyridyl and imidazolyl rings with a nearest atom-to-atom distance of 3.40 (2) Å and a centroid-to-centroid distance of 4.06 (3) Å.

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