scholarly journals 3-[1-(3-Hydroxybenzyl)-1H-benzimidazol-2-yl]phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1374-o1375 ◽  
Author(s):  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
Rohana Adnan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C20H16N2O2, the benzimidazole mean plane forms dihedral angles of 56.55 (3) and 81.65 (4)° with the two benzene rings. In the crystal structure, intermolecular O—H...O and O—H...N hydrogen bonds link the molecules into layers parallel to the (101) plane. The crystal packing also exhibits weak intermolecular C—H...O and C—H...π interactions.

scholarly journals 3-(10-Chloro-9-anthryl)-5-[3-(prop-2-ynyloxy)phenoxymethyl]isoxazole

2009 ◽  
Vol 65 (6) ◽  
pp. o1401-o1401
Author(s):  
Juan Li ◽  
Hailing Xi ◽  
Jianming Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule ◽  
Centrosymmetric Dimers

In the title molecule, C27H18ClNO3, the anthracene mean plane forms dihedral angles of 67.43 (2) and 15.75 (3)° with the isoxazole and benzene rings, respectively. In the crystal structure, C—H...π interactions link molecules into centrosymmetric dimers, which are further linked by weak intermolecular C—H...N hydrogen bonds into ribbons propagating in the [110] direction.

scholarly journals (E)-1-([1,1′-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (7) ◽  
pp. o809-o810 ◽  
Author(s):  
D. Shanthi ◽  
T. Vidhya Sagar ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
A. Thiruvalluvar
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C22H18O, theo-tolyl ring is connected through a conjugated double bond. The molecule adopts anEconformation and the C—C=C—C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)°. The dihedral angle between the benzene rings is 14.10 (7)°. There are three weak C—H...π interactions found in the crystal structure. No classic hydrogen bonds are observed.

scholarly journals Crystal structure of 1,4-diethoxy-9,10-anthraquinone

2015 ◽  
Vol 71 (7) ◽  
pp. o504-o505 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Sining Li ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Katsuhiko Ono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16O4, contains two crystallographically independent molecules. The anthraquinone ring systems are slightly bent with dihedral angles of 2.33 (8) and 13.31 (9)° between the two terminal benzene rings. In the crystal, the two independent molecules adopt slipped-parallel π-overlap with an average interplanar distance of 3.45 Å, forming a dimer; the centroid–centroid distances of the π–π interactions are 3.6659 (15)–3.8987 (15) Å. The molecules are also linked by C—H...O interactions, forming a tape structure along thea-axis direction. The crystal packing is characterized by a dimer-herringbone pattern.

scholarly journals Crystal structure of 4-[(E)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (9) ◽  
pp. o1015-o1016
Author(s):  
Kamni ◽  
B. K. Sarojini ◽  
P. S. Manjula ◽  
B. Narayana ◽  
Sumati Anthal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C17H15ClN4S, the benzene rings form dihedral angles of 16.6 (1) and 77.2 (1)° with the triazole ring. The dihedral angle between the benzene rings is 86.6 (1)°. In the crystal, pairs of N—H...S hydrogen bonds form inversion dimers with graph-set notationR22(8). Weak C—H...S hydrogen bonds link these dimers into layers parallel to (100). Weak intramolecular C—H...S and C—H...N contacts are observed.

scholarly journals [2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3-diyl]bis[(pyridin-2-yl)methanone]–butan-2-one (1/1)

2012 ◽  
Vol 68 (6) ◽  
pp. o1633-o1634 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Chin Wei Ooi ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Π Stacking ◽  
Benzene Rings ◽  
A Chain

In the title solvate, C47H37N3O3·C4H8O, the cyclohexane ring adopts a chair conformation and the plane through its near coplanar atoms forms dihedral angles of 82.58 (7), 89.27 (7), 60.30 (8), 54.54 (7) and 72.03 (7)°, respectively, with the three pyridine rings and the two attached benzene rings. The rings of the biphenyl units are twisted from each other, making dihedral angles of 35.27 (7) and 45.41 (7)°. All the rings are in equatorial orientations in the cyclohexane ring, except for the C=O-bonded pyridine ring in position 1, which is axial. Intramolecular O—H...N and C—H...O hydrogen bonds form one S(5) and three S(6) ring motifs. In the crystal, molecules are linked via C—H...O hydrogen bonds into a chain along the c axis. The crystal structure also features weak C—H...π interactions and aromatic π–π stacking [centroid–centroid distances = 3.5856 (10) and 3.7090 (9) Å].

scholarly journals 1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1023-o1023
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, molecules are linkedviabifurcated (C,C)–H...O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H...π interactions.

scholarly journals Crystal structure of 4-methoxy-N-phenylbenzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o921-o921
Author(s):  
Zhijun Wang ◽  
Haiying Lei ◽  
Linhua Jin ◽  
Ruitao Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methoxy Group ◽  
Amide Group ◽  
Dihedral Angles ◽  
Translational Symmetry ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C14H13NO2, the dihedral angle between the planes of the benzene rings is 65.18 (4)°. The central amide group has about the same degree of twist with respect to both ring planes, as indicated by the dihedral angles of 34.70 (8) and 30.62 (8)° between its plane and that of the phenyl and 4-methoxybenzene rings, respectively. The C atom of the methoxy group is close to being coplanar with its attached ring [deviation = −0.112 (2) Å]. In the crystal, molecules are linked by inter-amide N—H...O hydrogen bonds, which generateC(4) chains propagating in the [100] direction. Adajcent molecules in the chain are related by translational symmetry.

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals 2-(5-Bromothiophen-2-yl)-1-phenyl-1H-phenanthro[9,10-d]imidazole

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
T. Kavitha ◽  
Sivakalai Mayakrishnan ◽  
T. Paramasivam Perumal ◽  
Chandramouleeswaran Suvasini ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Phenyl Ring ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C25H15BrN2S, the phenanthrene system is slightly skewed, with a dihedral angle of 8.94 (16)° between the outer benzene rings. The imidazole ring makes dihedral angles of 15.18 (16), 2.94 (15) and 88.46 (16)°, respectively, with the thiophene ring, the central benzene ring of the phenanthrene unit and the phenyl ring attached to the latter unit. In the molecule, there are two C—H...π interactions present involving the phenyl ring. In the crystal, molecules are linked by C—H...N and C—H...Br hydrogen bonds, forming zigzag chains along theaaxis. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals (Z)-3-(9-Anthryl)-1-(4-bromophenyl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1396-o1396 ◽  
Author(s):  
Yi-Hui Lu ◽  
Guang-Zhou Wang ◽  
Cheng-He Zhou ◽  
Yi-Yi Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Intermolecular Contacts ◽  
Additional Stabilization ◽  
Title Molecule ◽  
Centrosymmetric Dimers

In the title molecule, C26H16BrN3O3, the anthracene and benzene mean planes make dihedral angles of 63.79 (2) and 14.67 (2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link molecules to form centrosymmetric dimers. Weak π–π stacking interactions, with centroid–centroid distances of 3.779 (2) and 3.826 (2) Å, supply additional stabilization. The crystal packing also exhibits short intermolecular contacts between the nitro groups and Br atoms [Br...O = 3.114 (2) Å].

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