3-(1,3-Benzothiazol-2-yl)-2-naphthol

2006 ◽  
Vol 62 (5) ◽  
pp. o2010-o2011 ◽  
Author(s):  
Zhi-Qiang Huang ◽  
Zhi-Qiang Du ◽  
Guan-Sheng Du ◽  
Jun Yan
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Face To Face ◽  
Compound C ◽  
Π Stacking ◽  
The Face

The molecule of the title compound, C17H11NOS, is planar, the dihedral angle between the benzothiazole and 2-naphthol systems being 3.44 (6)°. The face-to-face separation of 3.48 (2) Å indicates π–π stacking between parallel benzothiazole systems.

scholarly journals N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine

2012 ◽  
Vol 68 (4) ◽  
pp. o1272-o1272
Author(s):  
De-Cai Wang ◽  
Yu-Jing Wang ◽  
Jun-Song Song ◽  
Ping Wei ◽  
Ping-Kai Ou-yang
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C24H30N6O5, the cyclohexyl ring adopts a chair conformation, while the remainder of the molecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intramolecular π–π stacking interaction with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C—H...O contacts link the molecules into chains along thebaxis.

scholarly journals 2-(2-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione

2012 ◽  
Vol 68 (8) ◽  
pp. o2589-o2589 ◽  
Author(s):  
M. Nawaz Tahir ◽  
Muhammad Sirajuddin ◽  
Saqib Ali ◽  
Khurram Shahzad Munawar
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring Systems ◽  
Compound C ◽  
Π Stacking

In the title compound, C15H11NO3, the dihedral angle between the methoxybenzene and isoindole ring systems is 70.21 (3)°. The methoxy C atom is close to being coplanar with its attached ring [deviation = 0.133 (2) Å] and is oriented away from the isoindole moiety. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(10) loops. Further C—H...O interactions lead to (010) infinite sheets and weak aromatic π–π stacking [centroid–centroid separations = 3.6990 (10) and 3.7217 (10) Å] is also observed.

[(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.

11H-Dibenzo[b,e]azepin-6(5H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o3021-o3022 ◽  
Author(s):  
Qing-Bin Li ◽  
Wei-Chun Yang ◽  
Yong-Jun Han ◽  
Xiao-Jun Zhao
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C14H14NO, the two benzene rings make a dihedral angle of 60.4 (4)°. The crystal packing is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds and weak π–π stacking, linking the molecules into ladders of dimers.

scholarly journals N-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide

2014 ◽  
Vol 70 (6) ◽  
pp. o732-o732 ◽  
Author(s):  
Brian J. Anderson ◽  
Zachary A. Shalit ◽  
Jerry P. Jasinski
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H17N3OS, the dihedral angle between the mean planes of the 2-hydroxynapthyl ring system and the hydrazinecarbothioamide group is 73.7 (3)°. In the crystal, weak O—H...S and C—H...O interactions and π–π stacking interactions involving one of the hydroxynapthyl rings with a centroid–centroid distance of 3.6648 (14) Å are observed, forming infinite chains along [010]. In addition, N—H...S interactions occur.

scholarly journals rac-(3S,4Z)-3-Chloro-4-[2-(3-fluorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1787-o1787
Author(s):  
Muhammad Shafiq ◽  
M. Nawaz Tahir ◽  
Islam Ullah Khan ◽  
Saeed Ahmad
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Axial Orientation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
Cl Atom

In the title compound, C16H13ClFN3O2S, the dihedral angle between the benzene rings is 4.47 (3)°. The conformation of the thiazine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, molecules are linked by C—H...F interactions, generating C(12) chains propagating in [011]. Aromatic π–π stacking interactions [centroid–centroid separations = 3.753 (2) and 3.758 (2) Å] also occur.

scholarly journals N′-[(E)-3-Bromobenzylidene]pyrazine-2-carbohydrazide

2013 ◽  
Vol 69 (11) ◽  
pp. o1635-o1635 ◽  
Author(s):  
Mushtaq Ahmad ◽  
Shahid Hameed ◽  
M. Nawaz Tahir ◽  
Muhammad Anwar ◽  
Muhammad Israr
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

In the title compound, C12H9BrN4O, the dihedral angle between the aromatic rings is 12.16 (12)°. An intramolecular N—H...N hydrogen bond closes anS(5) ring. In the crystal, C—H...O hydrogen bonds link the molecules intoC(6) chains propagating in [010]. Very weak aromatic π–π stacking [centroid–centroid separations = 3.9189 (15) and 3.9357 (15) Å] is also observed.

scholarly journals 3-(4-Bromophenyl)cyclopent-2-en-1-one

2014 ◽  
Vol 70 (6) ◽  
pp. o692-o693
Author(s):  
Endrit Shurdha ◽  
Kelsey Dees ◽  
Hannah A. Miller ◽  
Scott T. Iacono ◽  
Gary J. Balaich
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Relative Orientation ◽  
Weak Hydrogen Bond ◽  
Torsion Angles ◽  
Face To Face ◽  
Compound C ◽  
Side Face

In the title compound, C11H9BrO, the cyclopentenone ring is almost planar with an r.m.s. deviation of 0.0097 Å. The largest inter-ring torsion angles [2.4 (3), 1.3 (3) and 3.53 (2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The molecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3 (1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to theacplane. Each sheet consists of molecules that pack side-to-side with the same relative orientation of phenyl and cyclopentenone rings along thea- andc-axis directions. Slipped side-to-side, face-to-face and edge-to-face interactions exist between pairs of sheets with edge-to-edge and edge-to-face O...H—C(sp2) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77 Å) also exists between pairs of sheets.

A 1:1 cocrystal of sebacic acid and 4,4′-bipyridine

2006 ◽  
Vol 62 (7) ◽  
pp. o2757-o2758 ◽  
Author(s):  
Bin Yu ◽  
Xiao-Qing Wang ◽  
Ru-Ji Wang ◽  
Guang-Qiu Shen ◽  
De-Zhong Shen
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Sebacic Acid ◽  
Planar Structure ◽  
Acid Molecule ◽  
Compound C ◽  
Π Stacking

The crystal structure of the title compound, C10H8N2·C10H18O4, consists of sebacic acid and 4,4′-bipyridine molecules. The sebacic acid molecule displays an extended planar structure, but the pyridine rings of the 4,4′-bipyridine molecule are twisted relative to each other, with a dihedral angle of 15.78 (7)°. The centroid-to-centroid separation of 3.6366 (11) Å indicates π–π stacking between parallel pyridine rings.

scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

Sign in / Sign up

Export Citation Format

Share Document