scholarly journals 4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one

2012 ◽  
Vol 68 (4) ◽  
pp. o992-o993 ◽  
Author(s):  
Solange M. S. V. Wardell ◽  
Alan H. Howie ◽  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H26N4O2, the complete molecule is generated by the application of twofold symmetry. The pyrazole ring is approximately planar [r.m.s. deviation = 0.026 Å] and the benzene ring is twisted out of this plane [dihedral angle = 21.94 (7)°]. A twist in the molecule about the central C—C bond [1.566 (3) Å] is also evident [C—C—C—C torsion angle = 44.30 (14)°]. Supramolecular layers in thebcplane are formed in the crystal packingviaC—H...O and C—H...π interactions.

scholarly journals 6-Cyanonaphthalen-2-yl 4-hexylbenzoate

2014 ◽  
Vol 70 (5) ◽  
pp. o620-o620 ◽  
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mohd. Yusoff Mashitah ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Minor Component ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H23NO2, a whole molecule is disordered over two sets of sites with occupancies in a ratio of 0.692 (6):0.308 (6). In the major disorder component, the naphthalene ring system forms a dihedral angle of 68.6 (5)° with the benzene ring. The corresponding angle in the minor component is 81.6 (10)°. In the crystal, molecules are linked into chains propagating along theb-axis directionviaweak C—H...O hydrogen bonds. The crystal packing is further consolidated by weak C—H...π interactions.

scholarly journals 2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (2) ◽  
pp. o230-o231 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methoxy Group ◽  
Crystal Packing ◽  
Aldehyde Group ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the sterically hindered title compound, C26H17ClN2O6S, the carbazole ring has a maximum deviation from planarity of 0.067 (4) Å for the C atom connected to the aldehyde group. The carbazole moiety forms a dihedral angle of 72.8 (1)° with the nitro-substituted benzene ring. The O atom of the methoxy group deviates by 0.186 (1) Å from the adjacent carbazole moiety. The phenylsulfonyl group forms intramolecular C—H...O bonds between sulfone O atoms and the carbazole moiety, resulting in twoS(6) rings. In the crystal, the nitrated benzene rings are linkedviaC—H...O interactions forming infiniteC(7) chains along [100]. The crystal packing is also characterized by C—H...π interactions, which result in inversion dimers.

scholarly journals N′-[(1Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)ethyl]-2-[(4-methylphenyl)sulfanyl]acetohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Mohamed S. Abbady ◽  
Etify A. Bakhite ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Pyrazole Ring ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H22N4O2S, the dihedral angle between the pyrazole ring and adjacent benzene ring is 6.4 (1)°. The molecular conformation is influenced by intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, N—H...O hydrogen bonds plus C—H...π and π–π stacking interactions form chains extending in thea-axis direction. The chains are linked by complementary pairs of C—H...π interactions.

scholarly journals Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (2) ◽  
pp. o119-o120
Author(s):  
D. Shanthi ◽  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C21H15NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the molecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, molecules are linkedviaC—H...π interactions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

scholarly journals [4-(Allyloxy)phenyl](phenyl)methanone

2014 ◽  
Vol 70 (7) ◽  
pp. o814-o815
Author(s):  
Richard F. D'Vries ◽  
Carlos D. Grande ◽  
Manuel N. Chaur ◽  
Javier A. Ellena ◽  
Rigoberto C. Advincula
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The structure of the title compound, C16H14O2, features a dihedral angle of 54.4 (3)° between the aromatic rings. The allyl group is rotated by 37.4 (4)° relative to the adjacent benzene ring. The crystal packing is characterized by numerous C—H...O and C—H...π interactions. Most of these interactions occur in layers along (011). The layers are linked by C—H...π interactions along [100], forming a three-dimensional network.

scholarly journals (2E)-3-(4-Cyanophenyl)-1-(4,4′′-difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1877-o1878 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C29H19F2NO2, the central benzene ring forms a dihedral angle of 56.92 (12)° with the cyanobenzene ring and dihedral angles of 40.91 (12) and 44.76 (12)° with the two fluorobenzene rings. In the crystal, C—H...O and C—H...F hydrogen bonds link the molecules into sheets lying parallel to the ab plane. The crystal packing also features C—H...π interactions involving the central benzene ring.

scholarly journals 2-(2-Nitrophenyl)-1,3-benzothiazole

2012 ◽  
Vol 68 (8) ◽  
pp. o2362-o2362
Author(s):  
S. Vijayakumar ◽  
S. Murugavel ◽  
R. Selvakumar ◽  
M. Bakthadoss
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C

In the title compound, C13H8N2O2S, the essentially planar benzothiazole system [maximum deviation = −0.012 (1) Å for the S atom] is oriented at a dihedral angle of 48.3 (1)° with respect to the benzene ring. The nitro group is substantially twisted from the plane of its attached benzene ring [dihedral angle = 52.0 (1)°]. The crystal packing features C—H...O hydrogen bonds, which generateC(6) helical chains propagating along [010]. Weak C—H...π interactions also occur in the crystal.

scholarly journals Crystal structure of (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o65-o66 ◽  
Author(s):  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
D. Shanthi ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Rectangular Tubes

In the title compound, C22H17NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, molecules are linked by two weak C—H...π interactions, forming rectangular tubes propagating along theb-axis direction.

Ethyl 3-(4-chlorophenyl)-5-(ethoxycarbonyl)-1H-pyrazole-1-acetate

2007 ◽  
Vol 63 (11) ◽  
pp. o4468-o4468 ◽  
Author(s):  
Wen-Liang Dong ◽  
Wen-Liang Dong ◽  
Yong Xia ◽  
Yan-Qing Ge ◽  
Bao-Xiang Zhao
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Normal Values ◽  
Pyrazole Ring ◽  
Bond Lengths ◽  
Π Interactions ◽  
Compound C

In the title compound, C16H17ClN2O4, all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 5.75 (8)°. The molecules are linked into a network by intermolecular C—Cl...π interactions.

scholarly journals 4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate

2012 ◽  
Vol 68 (4) ◽  
pp. o1156-o1156
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khalid A. Alamry ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ester Group ◽  
Compound C

In the title compound, C11H7F3N2O4S2, the 1,3-thiazol-2-amine residue is almost perpendicular to the central benzene ring [dihedral angle = 84.3 (2)°]. There is a small twist between the benzene ring and the ester group [C—O—C—C torsion angle = 9.8 (6)°]. Thus, the molecule has an L-shape. Inversion-related dimers are connected in the crystal packing by pairs of N—H...N hydrogen bonds formed between the amine H and thiazole N atomviaeight-membered {...HNCN}2synthons.

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