scholarly journals 3-Benzoyl-4-methyl-2-oxo-2H-chromen-7-yl acetate

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Yi Cao ◽  
Wenpeng Mai ◽  
Jinwei Yuan
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Benzoyl Group ◽  
Coumarin Ring

In the title compound, C19H14O5, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.026 Å) and the pendant benzoyl group is 81.91 (7)°. In the crystal, weak C—H...O interactions link the molecules into a three-dimensional network.

scholarly journals 3-Benzoyl-7-methoxy-2H-chromen-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Weijie Li ◽  
Yongmei Xiao ◽  
Jinwei Yuan ◽  
Liangru Yang ◽  
Pu Mao
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C17H12O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.018 Å) and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H...O interactions connect the molecules into a three-dimensional network and aromatic π–π stacking interactions are also observed [shortest centroid–centroid separation = 3.6692 (9) Å].

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 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 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.

scholarly journals 7-Hydroxy-4-(hydroxymethyl)coumarin

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Jun-Hua Bai ◽  
Jin-Long Dong
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C10H8O4, the almost planar coumarin ring system (r.m.s. deviation = 0.0216 Å from the plane through all 11 non-H atoms of the system) has hydroxymethyl and hydroxyl substituents at the 4- and 7-positions, respectively. In the crystal, two classical O—H...O hydrogen bonds generate a three-dimensional network structure.

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 Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals Crystal structure of 2-benzoylamino-N′-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide

2016 ◽  
Vol 72 (8) ◽  
pp. 1099-1102
Author(s):  
Karanth N. Subbulakshmi ◽  
Badiadka Narayana ◽  
Hemmige S. Yathirajan ◽  
Jerry P. Jasinski ◽  
Ravindranath S. Rathore ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzoyl Group

In the title compound, C21H17N3O3S, the non-H atoms, apart from those in the benzoyl group, are almost coplanar (r.m.s. deviation = 0.049 Å) and the benzoyl group is almost orthogonal to the plane of the rest of the molecule [dihedral angle = 80.34 (6)°]. In the crystal, a combination of N—H...O and asymmetric bifurcated O—H...(N,O) hydrogen bonds link the molecules into a three-dimensional network. Weak C—H...O interactions are also observed.

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