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 Crystal structure of 2,6-bis(2-hydroxy-5-methylphenyl)-4-phenylpyridinium bromide dichloromethane hemisolvate hemihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o953-o954
Author(s):  
Badma N. Mankaev ◽  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Mikhail P. Egorov ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Ring Centroid

The asymmetric unit in the structure of the title compound, C25H22NO2+·Br−·0.5CH2Cl2·0.5H2O, comprises two pseudosymmetry-related cations, two bromide anions, a dichloromethane molecule and a water molecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0 (2), 36.4 (1) and 24.2 (1)°, and 3.7 (2), 36.5 (1) and 24.8 (1)°, respectively. In the crystal, the cations, anions and water molecules are linked through O—H...O and O—H...Br hydrogen bonds, forming an insular unit. Within the cations there are also intramolecular N—H...O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by π–π stacking interactions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525 (3) and 3.668 (3) Å], forming chains extending across theacdiagonal. Voids between these chains are filled by dichloromethane molecules.

scholarly journals N1-[(1H-Imidazol-2-yl)methylidene]-N4-phenylbenzene-1,4-diamine

2014 ◽  
Vol 70 (7) ◽  
pp. o806-o806 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
M. Shahid ◽  
Musheer Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
A Chain

The title compound, C16H14N4, is non-planar with dihedral angles between the planes of the imidazole and phenylenediamine rings of 30.66 (4)° and between the planes of the phenylenediamine andN-phenyl rings of 56.63 (7)°. In the crystal, molecules are connected by N—H...N hydrogen bonds, generating a chain extending along theb-axis direction. The crystal structure is also stabilized by C—H...π interactions betweenN-phenyl and imidazole rings and slipped π–π stacking interactions between imidazole rings [centroid–centroid distance = 3.516 (4) Å] giving an overall two-dimensional layered structure lying parallel to (010).

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

scholarly journals 2-Amino-N′-phenylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1847-o1847
Author(s):  
Víctor Kesternich ◽  
Paulo Gahona ◽  
Marcia Pérez-Fehrmann ◽  
Iván Brito ◽  
Matías López-Rodríguez
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C13H13N3O, the NNCO unit forms dihedral angles of 35.8 (1) and 84.0 (1)° with the benzene and phenyl rings, respectively. The dihedral angles between the aromatic rings is 61.2 (1)°. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules are linked by weak N—H...O hydrogen bonds into C(4) chains parallel to the c axis. Neighbouring chains are linked by weak N—H...N hydrogen bonds, forming R 4 4(20) rings, and resulting in the formation of a two-dimensional network lying parallel to (010). The packing also features π–π stacking interactions between phenyl rings [centroid–centroid distance = 3.803 (2) Å].

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 5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4H-chromen-4-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Fan Yang ◽  
Yang Li ◽  
Shu-Jing Zhou
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Compound C

In the title compound, C18H12O4, the essentially planar chromenone ring system [the maximum deviation = 0.016 (2) Å] is nearly co-planar with the phenyl ring [dihedral angle = 3.85 (8)°]. An intramolecular O—H...O hydrogen bond occurs. In the crystal, weak C—H...O hydrogen bonds and π–π stacking interactions link the molecules into a three-dimensional supramolecular network.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine

2019 ◽  
Vol 75 (10) ◽  
pp. 1511-1514
Author(s):  
Suk-Hee Moon ◽  
Jinho Kim ◽  
Ki-Min Park ◽  
Youngjin Kang
Keyword(s):  
Surface Analysis ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Layer Structure ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C

In the title compound, C24H22N4O4, the four pyridine rings are tilted slightly with respect to each other. The dihedral angles between the inner and outer pyridine rings are 12.51 (8) and 9.67 (9)°, while that between inner pyridine rings is 20.10 (7)°. Within the molecule, intramolecular C—H...O and C—H...N contacts are observed. In the crystal, adjacent molecules are linked by π–π stacking interactions between pyridine rings and weak C—H...π interactions between a methyl H atom and the centroid of a pyridine ring, forming a two-dimensional layer structure extending parallel to the ac plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (52.9%) and H...C/C...H (17.3%) contacts.

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-(2-Hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
K. S. Ezhilarasi ◽  
Nataraj Poomathi ◽  
P. T. Perumal ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Ring System ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Indole Ring ◽  
Compound C

In the title compound, C21H13N3O2, the indole and pyridine rings are planar. The pyridine ring is in an antiperiplanar (−ap) orientation with the indole ring system and an antiperiplanar (+ap) orientation with the hydroxyphenyl ring. An intramolecular O—H...O hydrogen bond stabilizes the molecular structure. In the crystal, N—H...N hydrogen bonds involving the indole NH group and the cyanide nitrogen atom lead to the formation of a two-dimensional supramolecular network lying parallel to (011).

scholarly journals 3-Amino-N-benzyl-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1823-o1823
Author(s):  
Jin-Ni Zhao ◽  
Sheng-Yong Yang ◽  
Li Yang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Stability

In the title compound, C21H16FN3OS, the thieno[2,3-b]pyridine system forms dihedral angles of 10.57 (12) and 83.87 (5)° with the fluorophenyl ring at the 6-position and the phenyl ring of the benzyl group, respectively. In the crystal, molecules are linked by weak N—H...N anf N—H...O hydrogen bonds and π–π stacking interactions involving fluorophenyl rings of adjacent molecules, with a centroid–centroid distance of 3.648 (10) Å. In addition, intramolecular N—H...S and N—H...O hydrogen bonds contribute to the stability of the molecular conformation.

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