نتایج جستجو برای: π stacking

تعداد نتایج: 44075  

2012
M. Prabhuswamy S. Madan Kumar K. R. Raghavendra M. M. M. Abdoh S. Shashikanth N. K. Lokanath

In the title compound, C21H23NO6S, the dihedral angle between the thio-pene and benzene rings is 88.66 (6)°. In the crystal, mol-ecules are connected by C-H⋯N and C-H⋯O hydrogen bonds, forming a tape along [10-1]. In addition, C-H⋯π and π-π stacking [centroid-centroid distance = 3.879 (2) Å between the thio-phene rings] inter-actions are observed.

Journal: :Journal of the American Chemical Society 2014
Xiao-Ye Wang Fang-Dong Zhuang Rui-Bo Wang Xin-Chang Wang Xiao-Yu Cao Jie-Yu Wang Jian Pei

A straightforward strategy has been used to construct large BN-embedded π-systems simply from azaacenes. BN heterosuperbenzene derivatives, the largest BN heteroaromatics to date, have been synthesized in three steps. The molecules exhibit curved π-surfaces, showing two different conformations which are self-organized into a sandwich structure and further packed into a π-stacking column. The as...

2010
S. Mohana Roopan F. Nawaz Khan Rajesh Kumar Venkatesha R. Hathwar Mehmet Akkurt

The mol-ecule of title compound, C(11)H(10)ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.017 Å). In the crystal, mol-ecules inter-act by way of O-H⋯O hydrogen bonds, generating C(2) chains propagating in [010]. The crystal structure is consolidated by C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.661 (2) Å].

2014
C. Ramathilagam P. R. Umarani N. Venkatesan P. Rajakumar B. Gunasekaran V. Manivannan

In the title compound C20H13N5, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.027 Å) and the pendant benzene ring is 55.08 (6)°. One of the azide N atoms is disordered over two positions in a 0.65 (2):0.35 (2) ratio. In the crystal, aromatic π-π stacking is observed [minimum centroid-centroid separation = 3.6499 (13) Å] as well as inversion-dimers connected by pairs...

2013
N. Vinutha S. Madan Kumar B. S. Vidyashree Jois Kalluraya Balakrishna N. K. Lokanath D. Revannasiddaiah

In the title compound, C22H19N3O4, the dihedral angle between the furan and pyrazole rings is 82.73 (19)° while the dihedral angles between the furan and pyrazole rings and their attached benzene rings are 31.93 (18) and 1.88 (18)°, respectively. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(16) loops. In addition, weak C-H⋯π and aromatic π-π stacking...

2007
Ming-Yue Mou Ke Pi Qi-Long Zhang Yun-Qian Zhang Qian-Jun Zhang

In the title compound, C(17)H(14)O(6), the benzopyran ring system is essentially planar and forms a dihedral angle of 6.84 (4)° with the other benzene ring. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by O-H⋯O hydrogen bonds. The crystal packing is controlled by C-H⋯π and π-π stacking inter-actions involving the benzopyran and benzene rings, with cent...

2009
Lu-Tong Yuan Hai Zhang Zuo-Xiang Wang Zhi-Rong Qu

In the mol-ecule of the title compound, C(19)H(15)N(5), the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl and p-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C-H⋯π hydrogen-bonding inter-actions and by π-π stacking inter-actions, with a centroid-centroid distance of 3.794 (4) Å.

2011
Zeliha Baktır Mehmet Akkurt S. Samshuddin B. Narayana H. S. Yathirajan

In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod...

2009
Reza Kia Hoong-Kun Fun Hadi Kargar

In the mol-ecule of the title compound, C(10)H(12)N(2), the six- and five-membered rings are almost co-planar, forming a dihedral angle of 3.56 (8)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H⋯N hydrogen bonds into one-dimensional infinite chains along the c axis. The crystal structure, is further stabilized by weak inter-molecular C-H⋯π and π-π...

2014
Shaaban K. Mohamed Mehmet Akkurt Benson M. Kariuki Ali M. Ali Mustafa R. Albayati

The mol-ecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intra-molecular C-H⋯N hydrogen bond is noted. In the crystal, mol-ecules inter-act with each other via π-π stacking inter-actions between thia-zole rings [centroid-centroid distance = 3.7475 (9) Å] and methyl-H⋯π(C6) inter-actions, forming columns along the a axis.

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