scholarly journals Crystal structure of (4E)-4-(8-methoxy-2H-chromen-2-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o414-o415
Author(s):  
Muhammad Salim ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Heterocyclic Ring ◽  
Phenyl Substituent ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the molecule. In the crystal, molecules are connected into inversion dimers of theR22(14) type by pairs of C—H...O interactions. π–π interactions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π–π interactions are present at a centroid–centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ring and methoxy substituted aromatic ring of a neighbouring molecule. Additional C—H...π and C=O...π interactions are also observed.

scholarly journals 5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1065-o1066
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluorophenyl ring is 76.11 (5)°. In the crystal, molecules are linked into [010] chainsviatwo different inversion-generated pairs of C—H...O hydrogen bonds. The crystal structure also exhibits weak π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.820 (2) Å].

scholarly journals 3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran

2012 ◽  
Vol 68 (4) ◽  
pp. o943-o943
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C17H15ClO2S, the 3-chlorophenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O, C—H...π and C—S...π [3.414 (2) Å] interactions. The crystal structure also exhibits weak π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.826 (2), interplanar distance = 3.447 (2) and slippage = 1.660 (2) Å].

scholarly journals 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone

2009 ◽  
Vol 65 (6) ◽  
pp. o1198-o1198
Author(s):  
Ye-Chao Hang ◽  
Jin-Xiu Ji ◽  
Min-Dong Chen
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H21NO2, the pendant benzene ring is inclined at a dihedral angle of 86.66 (18)° with respect to the adjacent aromatic ring of the carbozole unit. In the crystal structure, symmetry-related molecules are linkedviaC—H...O and C—H...π interactions.

scholarly journals Crystal structure of (E)-N′-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide

2017 ◽  
Vol 73 (8) ◽  
pp. 1151-1153
Author(s):  
Suwadee Jiajaroen ◽  
Kittipong Chainok ◽  
Filip Kielar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C13H10FN3O2, the molecule has an E conformation with respect to the C=N bond of the hydrazone bridge. The dihedral angle between the isonicotinoyl and fluorophenol moieties is 4.03 (4)°, and an intramolecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, resulting in the formation of layers lying parallel to the ab plane. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.6887 (8) Å].

scholarly journals 5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran

2012 ◽  
Vol 68 (8) ◽  
pp. o2491-o2491 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10BrFO2S, the 3-fluorophenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and a Br...O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluorophenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).

scholarly journals 9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1722-o1723
Author(s):  
Damian Trzybiński ◽  
Andrzej Sieradzan ◽  
Karol Krzymiński ◽  
Jerzy Błażejowski
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Title Compound ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the crystal structure of the title compound, C21H15BrNO2 +·CF3SO3 −, adjacent cations are linked through C—Br...π and π–π contacts [centroid–centroid distance = 3.744 (2) Å], and neighbouring cations and anions via C—H...O, C—F...π and S—O...π interactions. The acridine and benzene ring systems are oriented at a dihedral angle of 18.7 (1)°. The carboxy group is twisted at an angle of 69.3 (1)° relative to the acridine skeleton. The mean planes of adjacent acridine moieties are either parallel or inclined at an angle of 27.8 (1)° in the lattice.

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 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine: the acaricide clofentezine

2014 ◽  
Vol 70 (10) ◽  
pp. o1135-o1135 ◽  
Author(s):  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Sangjin Lee ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Normal Distance

The whole molecule of the title compound, C14H8Cl2N4, is generated by inversion symmetry. The dihedral angle between the 2-chlorophenyl ring and the tetrazine ring is 47.65 (5)°. In the crystal, molecules are linked by slipped parallel π–π interactions [centroid–centroid distance = 3.8199 (5), normal distance = 3.3127 (8), slippage 1.902 Å] forming columns along thea-axis direction.

scholarly journals Crystal structure of 4,4′-dimethoxy-2,2′-bipyridine

2015 ◽  
Vol 71 (8) ◽  
pp. o623-o624
Author(s):  
Yukiko Kusano ◽  
Keiji Ohno ◽  
Takashi Fujihara
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Sheet Structure

In the title compound, C12H12N2O2, the dihedral angle between the planes of the two pyridine rings is 5.8 (1)°. Neighbouring molecules are linkedviaC(Me)—H...N interactions, generating a two-dimensional sheet structure; C—H...π interactions further link the molecules into a three-dimensional network. An overlapped arrangement of parallel pyridine rings in neighbouring molecules [centroid-to-centroid distance = 3.6655 (15) Å] is observed in the crystal structure.

scholarly journals Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (10) ◽  
pp. 249-251
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzofuran ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluorophenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, molecules are linkedviathree different pairs of C—H...O hydrogen bonds, forming chains along [001] and enclosing twoR22(10) and oneR22(12) ring motifs. The chains are further linked by π–π interactions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related molecules, forming a two-dimensional network lying parallel to (100).

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