scholarly journals Crystal structure of bis(4-methoxyphenyl) malonate

2015 ◽  
Vol 71 (5) ◽  
pp. o330-o331
Author(s):  
H. C. Devarajegowda ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The complete molecule of the title compound, C17H16O6, is generated by crystallographic twofold symmetry, with the central methylene C atom lying on the rotation axis. The carbonyl O atom is disordered over two adjacent positions in a 0.63 (3):0.37 (3) ratio and the dihedral angle between the benzene rings in the two halves of the molecule is 79.31 (12)°. In the crystal, molecules are connected by C—H...O hydrogen bonds, generating (110) sheets. Very weak intrasheet C—H...π interactions are also observed.

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 mandipropamid

2015 ◽  
Vol 71 (10) ◽  
pp. o727-o728
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C23H22ClNO4(systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36 (6)°. In the crystal, N—H...O hydrogen bonds lead to zigzag supramolecular chains along thecaxis (glide symmetry). These are connected into layers by C—H...O and C—H...π interactions; the layers stack along theaaxis with no specific intermolecular interactions between them.

scholarly journals Crystal structure of (E)-N′-benzylidene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide

2014 ◽  
Vol 70 (9) ◽  
pp. o995-o995
Author(s):  
Zhijun Wang ◽  
Chengyong Zhou ◽  
Lei Yan ◽  
Jinglin Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C13H12N4O3, the dihedral angle between the planes of the pyrrole and benzene rings is 7.47 (1)°. In the crystal, molecules are arranged in sheets lying parallel to (101). Neighbouring sheets are linked by N—H...O hydrogen bonds, weak π–π [centroid–centroid distance between the pyrrole rings = 3.765 (11) Å] and C—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1018-o1019 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.008 Å] and the 4-methylphenyl ring is 77.29 (4)°. In the crystal, molecules are linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.743 (2) Å]. The molecules are stacked along thea-axis direction. In addition, pairs of C—H...O hydrogen bonds are observed between inversion-related dimers: these generateR22(12) loops.

scholarly journals 4,4′-(Anthracene-9,10-diyl)dibenzoic acid dimethylformamide disolvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1223-o1223 ◽  
Author(s):  
Hong Li ◽  
Zhi-Qiang Wang ◽  
Liu-Zhi Yang ◽  
Yan-Qi Liu ◽  
Duo-Bin Mao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Solvate Complex ◽  
Compound C ◽  
Benzene Rings ◽  
Solvent Molecules

In the title compound, C28H18O4·2C3H7NO, the dihedral angle between the benzene rings and the anthracene system is 74.05 (12)°. A crystallographic inversion centre is located in the middle of the anthracene unit. The dimethylformamide solvent molecules are partially disordered over two positions of approximately equal occupancy [0.529 (6):0.471 (6)]. Intermolecular O—H...O hydrogen bonds with the major occupancy formamide O atom as acceptor result in the formation of 2:1 solvate–complex aggregates, which are alternately linked to shorter solvate unitsviaweak intermolecular C—H...O contacts generated from the rotational disorder of the formamide O atom (minor occupancy component). Weak C—H...π interactions between the solvent molecules as the donor and the outer anthracene rings support these contacts in the crystal structure for both disorder components.

scholarly journals Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran

2014 ◽  
Vol 70 (12) ◽  
pp. o1233-o1234
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C18H17ClO2S, the dihedral angle between the planes of the benzofuran ring [r.m.s. deviation = 0.013 (1) Å] and the 4-methylphenyl ring is 87.37 (5)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.525 (2) Å]. In addition, an S...S [3.6584 (9) Å] contact is observed.

scholarly journals 4-Methoxy-N-(4-nitrobenzyl)aniline

2012 ◽  
Vol 68 (4) ◽  
pp. o988-o988
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Indresh Kumar ◽  
Nisar A. Mir ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C14H14N2O3, the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring ispara-substituted by the aminomethylene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions are also observed.

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

2012 ◽  
Vol 68 (4) ◽  
pp. o975-o975 ◽  
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 ◽  
The Mean

In the title compound, C20H21ClN2O2, the benzene rings form dihedral angles of 6.35 (5) and 81.82 (5)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.145 Å). This latter ring adopts an envelope conformation with the CH grouping as the flap. The dihedral angle between the benzene rings is 75.63 (4)°. In the crystal, molecules are linked by C—H...Cl and C—H...O hydrogen bonds into chains along [-201]. The crystal structure also features C—H...π interactions.

scholarly journals Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde

2015 ◽  
Vol 71 (12) ◽  
pp. o1021-o1021
Author(s):  
Andreas Schäfer ◽  
Ljuba Iovkova-Berends ◽  
Stefan Gilke ◽  
Paul Kossmann ◽  
Hans Preut ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Nucleophilic Addition ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The title compound, C14H12O3, was synthesizedviathe nucleophilic addition of 4-methoxyphenol to 4-fluorobenzaldehyde. The dihedral angle between the least-squares planes of the benzene rings is 71.52 (3)° and the C—O—C angle at the central O atom is 118.82 (8)°. In the crystal, weak C—H...O hydrogen bonds link the molecules to generate supramolecular layers in thebcplane. The layers are linked by weak C—H...π interactions.

scholarly journals 2-Phenyl-1-(phenylsulfinyl)naphtho[2,1-b]furan

2009 ◽  
Vol 65 (6) ◽  
pp. o1443-o1443 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Byeng Wha Son ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Phenyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C24H16O2S, the O atom and the phenyl group of the phenylsulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment; the phenyl ring is almost perpendicular to this plane [82.34 (5)°]. The 2-phenyl ring is rotated out of the naphthofuran plane making a dihedral angle of 48.21 (6)°. The crystal structure shows π–π interactions between the central benzene rings of adjacent molecules [centroid–centroid distance = 3.516 (3) Å], as well as non-classical C—H...O hydrogen bonds.

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