نتایج جستجو برای: π stacking

تعداد نتایج: 44075  

2010
Grzegorz Dutkiewicz C. S. Chidan Kumar H. S. Yathirajan B. Narayana Maciej Kubicki

In the title compound, C(24)H(21)BrO(3), the central bromo-methoxy-benzene ring forms dihedral angles of 63.6 (1) and 60.3 (1)° with the terminal phenyl rings, while the angle between the two phenyl rings is 25.8 (1)°. The crystal structure is stabilized by weak C-H⋯Br and C-H⋯O hydrogen bonds, and C-H⋯π and π-π stacking [centroid-centroid distance = 3.910 (3) Å] inter-actions.

2010
Hoong-Kun Fun Ching Kheng Quah B. Chandrakantha Arun M. Isloor Prakash Shetty

In the title compound, C(8)H(8)N(4), the dihedral angle between the triazole ring [maximum deviation = 0.003 (1) Å] and the benzene ring is 34.57 (7)°. In the crystal, mol-ecules are linked into sheets lying parallel to the ac plane via inter-molecular N-H⋯N and C-H⋯N hydrogen bonds. Aromatic π-π [centroid-centroid distance = 3.6750 (8) Å] stacking and N-H⋯π inter-actions are also observed.

2012
Peter N. Horton Shaaban K. Mohamed Ahmed M. Soliman Eman M. M. Abdel-Raheem Mehmet Akkurt

In the title compound, C(15)H(13)N(5)O, the morpholine ring adopts a chair conformation. The dihedral angle between the pyrrole ring and the pyridine ring is 28.93 (14)°. In the crystal, the molecules are linked by C-H⋯O hydrogen bonds occur, and aromatic weak π-π stacking [centroid-centroid separation = 4.178 (2) Å] and C-H⋯π inter-actions consolidate the packing.

2009
Ming Peng Youfu Luo Lijuan Chen

In the mol-ecule of the title compound, C(13)H(13)BrN(2)O(2)S, the dihedral angle formed by the pyridine and benzene rings is 66.87 (3)°. An intra-molecular N-H⋯Br hydrogen bond is observed. In the crystal structure, N-H⋯O hydrogen bonds, C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.757 (14) Å] link the mol-ecules into a three-dimensional network.

2014
Hayette Alliouche Abdelmalek Bouraiou Sofiane Bouacida Hocine Merazig Ali Belfaitah

In the title mol-ecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, mol-ecules are linked by weak C-H⋯N and C-H⋯O hydrogen bonds, forming layers parallel to (100). A weak C-H⋯π inter-action connects these layers into a three-dimensional network. A π-π stacking inter-action, with a centroid-centroid distance of 3.5373 (9) Å, is al...

Journal: :Crystals 2022

Two polymorphs of a benzoxadiazole derivative were examined to determine the interactions leading formation two distinct crystalline forms. Hirshfeld surface analysis was used establish and contrast in samples. Fingerprints derived from distinguish lead discovering different crystals. π interactions, specifically, π-hole with nitro moiety, found play an important role crystal structure. Further...

2015
Stefan Werner Helgard Ebert Bob-Dan Lechner Frank Lange Anja Achilles Ruth Bärenwald Silvio Poppe Alfred Blume Kay Saalwächter Carsten Tschierske Kirsten Bacia

A novel class of bolapolyphile (BP) molecules are shown to integrate into phospholipid bilayers and self-assemble into unique sixfold symmetric domains of snowflake-like dendritic shapes. The BPs comprise three philicities: a lipophilic, rigid, π-π stacking core; two flexible lipophilic side chains; and two hydrophilic, hydrogen-bonding head groups. Confocal microscopy, differential scanning ca...

2008
Fang-Hua Zhu Jun-Xiao Yang Zhi-Hua Mao Ru-Gang Xie

In the title compound, C(20)H(19)N(2) (+)·PF(6) (-), the two benzocyclo-butene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C-H⋯π and π--π stacking inter-actions [centroid-centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF(6) (-) ion is disordered...

2012
Yavuz Köysal Sadık Deniz Ray J. Butcher Sema Öztürk Yildirim Jerry P. Jasinski Amanda C. Keeley

In the title mol-ecule, C(7)H(7)N(3)S(2), the dihedral angle between the thio-phene and thia-diazole rings is 72.99 (5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N-H⋯O hydrogen bonds, as well as C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.654 (1) and 3.495 (1) Å].

2013
Mehmet Akkurt Shaaban K. Mohamed Peter N. Horton Eman M. M. Abdel-Raheem Mustafa R. Albayati

In the title compound, C16H14O4, the benzene rings are inclined at a dihedral angle of 75.14 (9)°. The torsion angle of the bridging O-C-C-O group is -76.50 (11)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming C(6) chains along [100]. Furthermore, C-H⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distances = 3.6957 (7) and 3.6735 (8) Å] contribute to...

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