scholarly journals N-Benzyl-2-hydroxyethanaminium cyanurate

2013 ◽  
Vol 69 (12) ◽  
pp. o1741-o1742 ◽  
Author(s):  
Carlos Abraham Contreras-Espejel ◽  
Marco A. García-Eleno ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Hydrogen Bonded

In the cation of the title compound C9H14ON+·C3H2O3N3−, the benzylamine C—N bond subtends a dihedral angle of 78.3 (2)° with the phenyl ring. The cyanurate anion is in the usual keto-form and shows an r.m.s. deviation from planarity of 0.010 Å. In the crystal, the cyanurate anions form N—H...O hydrogen-bonded zigzag ribbons along [001]. These ribbons are crosslinked by the organocationsviaO—H...N and N—H...O hydrogen bonds, forming bilayers parallel to (010) which are held together along [010] by slipped π–π interactions between pairs of cyanurate anions [shortest contact distances C...C = 3.479 (2), O...N = 3.400 (2); centroid–centroid distance=4.5946 (9) Å] and between cyanurate and phenyl rings [centroid–centroid distance = 3.7924 (12) Å, ring–ring angle = 11.99 (10)°].

scholarly journals 6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Manpreet Kaur ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Talaat I. El-Emary ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Pyrazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bonds, each generating anS(6) loop. In the crystal, pairs of molecules are connected into inversion dimers by strong N—H...O hydrogen bonds, formingR22(8) ring motifs. These are linked into sheets parallel to (100)viaN—H...N hydrogen bonds; π–π interactions between symmetry-related pyrazole and phenyl rings [centroid–centroid distances = 3.4453 (9) Å] within the sheets are also noted.

scholarly journals 2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline

2013 ◽  
Vol 69 (11) ◽  
pp. o1719-o1720
Author(s):  
Chamseddine Derabli ◽  
Raouf Boulcina ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Abdelmadjid Debache
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Phenyl Rings

In the title compound, C24H18ClN3, the dihydroquinazoline and methyl-substituted quinoline benzene rings make a dihedral angle of 78.18 (4)° and form dihedral angles of 45.91 (5) and 79.80 (4)°, respectively, with the phenyl ring. The dihedral angle between the phenyl ring of dihydroquinazoline and the methyl-substituted benzene ring of quinoline is 78.18 (4)°. The crystal packing can be described as crossed layers parallel to the (011) and (0-11) planes. The structure features N—H...N hydrogen bonds and π–π interactions [centroid–centroid distance between phenyl rings = 3.7301 (9) Å].

scholarly journals (4E)-1-Phenyl-4-[(piperidin-1-yl)methylidene]pyrazolidine-3,5-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Alaa F. Mohamed ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C15H17N3O2, the dihedral angle between the planes of the pyrazolidine and phenyl rings is 29.91 (6)°. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into chains running parallel to thea-axis direction by a combination of N—H...O and C—H...O hydrogen bonds. Furthermore, there exist C—H...π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.5274 (10) Å] between the pyrazolidine rings of adjacent molecules.

scholarly journals 2-Phenyl-1-(phenylsulfinyl)naphtho[2,1-b]furan

2009 ◽  
Vol 65 (6) ◽  
pp. o1443-o1443 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Byeng Wha Son ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Phenyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C24H16O2S, the O atom and the phenyl group of the phenylsulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment; the phenyl ring is almost perpendicular to this plane [82.34 (5)°]. The 2-phenyl ring is rotated out of the naphthofuran plane making a dihedral angle of 48.21 (6)°. The crystal structure shows π–π interactions between the central benzene rings of adjacent molecules [centroid–centroid distance = 3.516 (3) Å], as well as non-classical C—H...O hydrogen bonds.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
H. S. Yeshwanthkumar ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. C. Chaluvaraju ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.

scholarly journals 2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o295-o296
Author(s):  
C. Ramathilagam ◽  
P. R. Umarani ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along theb-axis direction by weak C—H...O hydrogen bonds. The chains are further linked by C—H...π interactions, forming layers parallel to thebcplane.

scholarly journals (5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o839-o839
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation

In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the dihydrofuran ring [maximum deviation = 0.0016 (11) Å] and the phenyl ring is 47.22 (8)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming helical chains along theb-axis direction. The chains are further linked by C—H...π interactions to constitute a three-dimensional architecture.

scholarly journals 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate

2012 ◽  
Vol 68 (4) ◽  
pp. o1218-o1218 ◽  
Author(s):  
Aurang Zeb ◽  
Sammer Yousuf ◽  
Fatima Z. Basha
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C13H12BrN3O4, the dihedral angle between the benzene and imidazole rings is 30.6 (2)°. In the crystal, molecules are linked into chains parallel to [001] by C—H...O hydrogen bonds. The crystal packing is further consolidated by π–π interactions [centroid–centroid distance = 3.482 (2) Å].

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

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