scholarly journals Crystal structure of 4-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

2015 ◽  
Vol 71 (6) ◽  
pp. o374-o375 ◽  
Author(s):  
H.C. Devarajegowda ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C17H12O5, the dihedral angle between the planes of the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzene ring is 48.04 (10)°. The central CO2group subtends a dihedral angle of 27.15 (11)° with the coumarin ring system and 74.86 (13)° with the benzene ring. In the crystal, molecules are linked by C—H...O interactions, which generate a three-dimensional network. Very weak C—H...π interactions are also observed.

scholarly journals Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1168-o1168
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluorophenyl ring is 26.60 (5)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the benzofuran rings of inversion-related molecules [centroid(benzene)–centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.

scholarly journals Crystal structure of 2-(4-chloro-3-fluorophenyl)-1H-benzimidazole

2015 ◽  
Vol 71 (6) ◽  
pp. o387-o388 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at themetaposition of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming infiniteC(4) chains propagating along [010]. In addition, weak C—H...π and π–π interactions [shortest centroid–centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network.

scholarly journals Crystal structure of 3-(9H-carbazol-9-yl)-N′-[(E)-4-chlorobenzylidene]propanohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o937-o938 ◽  
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Talaat I. El-Emary ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C22H18ClN3O, the carbazole ring system is essentially planar (r.m.s deviation = 0.003 Å), and makes a dihedral angle of 9.01 (8)° with the plane of the chlorophenyl ring. In the crystal, neighbouring molecules are linked into centrosymmetricR22(8) dimers by pairs of N—H...O interactions and into a three-dimensional network by C—H...π interactions. The dimers are arranged into layers parallel to (010).

scholarly journals 2-Oxo-2H-chromen-3-yl 4-fluorobenzoate

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Eric Ziki ◽  
Siaka Sosso ◽  
Lamine Cissé ◽  
Guy Euloge Bany ◽  
Abdoulaye Djandé ◽  
...  
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Coumarin Ring

In the title compound, C16H9FO4, the dihedral angle between the planar coumarin ring system [maximum deviation = 0.027 (1) Å] and the benzene ring is 70.18 (6)°. In the crystal, π–π interactions [shortest centroid–centroid separation = 3.5338 (8) Å] link the molecules into a three-dimensional framework.

scholarly journals 2-Oxo-2H-chromen-3-yl benzoate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
Konan René Kambo ◽  
Siaka Sosso ◽  
F. Mansilla-Koblavi ◽  
Abdoulaye Djandé ◽  
Rita Kakou-Yao
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Dft Calculation ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
A Value ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C16H10O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzoate group is 83.58 (9)°, which compares to a value of 81.8° obtained from a DFT calculation at the B3LYP/6–311 G(d,p) level. In the crystal, C—O...π and C—H...π interactions and aromatic π–π [Cg...Cg= 3.7214 (14) and 3.7059 (14) Å] stacking generate a three-dimensional network.

scholarly journals Crystal structure of ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate

2015 ◽  
Vol 71 (5) ◽  
pp. o291-o292 ◽  
Author(s):  
Youness Boukharsa ◽  
Lahcen El Ammari ◽  
Jamal Taoufik ◽  
Mohamed Saadi ◽  
M'hammed Ansar
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Ethyl Group ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17ClN2O4, the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33 (8)°. The structure is characterized by disorder of the ethyl group, which is split into two parts, with a major component of 0.57 (3), and the acetate carbonyl O atom, which is statistically disordered. In the crystal, the molecules are linked by C—H...O interactions, forming a three-dimensional network.

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

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

2014 ◽  
Vol 70 (3) ◽  
pp. o320-o320
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C16H13BrO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.012 (1) Å] of the benzofuran ring system and the 3-methylphenyl ring is 84.83 (4)°. In the crystal, molecules are linkedviapairs of Br...O [3.240 (1) Å] contacts, forming inversion dimers. These dimers are linked by C—H...π interactions, forming a three-dimensional network.

scholarly journals 5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o808-o808
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methylphenyl ring is 0.9 (2)°. In the crystal, molecules are linked by C—H...O, C—H...π and Br...π [3.636 (2) Å] interactions, and by π–π interactions between the 4-methylphenyl and furan rings of neighbouring molecules [centroid–centroid distance = 3.650 (2) Å], forming a three-dimensional network.

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