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

2014 ◽  
Vol 70 (10) ◽  
pp. o1078-o1079
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzofuran ring system [maximum deviation = 0.037 (2) Å] and the 4-fluorobenzene ring is 71.92 (5)°. An intramolecular C—H...O hydrogen bond occurs. In the crystal, molecules are linked by π–π stacking between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.7103 (10) Å]. These molecules are further linked by C—S...π [S...centroid = 3.570 (1) Å] and C—H...O interactions, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of 2-amino-3-cyano-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran

2015 ◽  
Vol 71 (12) ◽  
pp. o1043-o1044
Author(s):  
Mohamed Bakhouch ◽  
Mohamed El Yazidi ◽  
Abdelali Kerbal ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

The three fused five- and six-membered rings in the title compound, C19H14N2O2S, are virtually coplanar, with the maximum deviation from the mean plane being 0.060 (1) Å. This benzothieno[3,2-b]pyran ring system is nearly perpendicular to the plane of the 4-methoxyphenyl ring, forming a dihedral angle of 83.65 (5)°. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds into inversion dimers. The dimeric units are further connected by an N—H...O hydrogen bond into a tape running along thebaxis. The tapes are linked together by C—H...N and π–π interactions [centroid–centroid distance = 3.7743 (8) Å], forming a three-dimensional network.

scholarly journals Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile

2015 ◽  
Vol 71 (8) ◽  
pp. o546-o547 ◽  
Author(s):  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Compound C ◽  
Centroid Distance ◽  
Π Stacking Interaction ◽  
The Mean ◽  
Chromene Ring

In the title compound, C16H12N2O3, the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, molecules are linked by classical N—H...O, O—H...O and O—H...N hydrogen bonds, and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network. Furthermore, a weak π–π stacking interaction is observed; the centroid-to-centroid distance is 3.7260 (7) Å.

scholarly journals Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone

2015 ◽  
Vol 71 (11) ◽  
pp. o875-o876
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Bond Forming ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03 (13)°. There is an intramolecular O—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π–π interactions, involving inversion-related benzene rings, forming slabs lying parallel to thebcplane {inter-centroid distance = 3.770 (2) Å].

scholarly journals (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1657-o1657 ◽  
Author(s):  
K. Mahesh Kumar ◽  
H. C. Devarajegowda ◽  
S Jeyaseelan ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Coumarin Ring

In the title compound, C17H21NO2S2, the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...S hydrogen bonds and weak π–π interactions with a centroid–centroid distance of 3.679 (1) Å.

scholarly journals (6-Methoxy-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

2013 ◽  
Vol 69 (2) ◽  
pp. o192-o192 ◽  
Author(s):  
H. C. Devarajegowda ◽  
K. Mahesh Kumar ◽  
S. Seenivasa ◽  
H. K. Arunkashi ◽  
O. Kotresh
Keyword(s):  
Hydrogen Bond ◽  
Bond Angle ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C16H17NO4S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intramolecular C—H...S hydrogen bond occurs. In the crystal, C—H...O hydrogen bonds generateR22(8) rings and π–π interactions occur between fused benzene rings of the chromene system [shortest centroid–centroid distance = 3.5487 (8) Å].

scholarly journals Crystal structure of (7-methyl-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate

2015 ◽  
Vol 71 (8) ◽  
pp. o606-o607
Author(s):  
K. R. Roopashree ◽  
T. G. Meenakshi ◽  
K. Mahesh Kumar ◽  
O. Kotresh ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Chair Conformation ◽  
Ring System ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Chromene Ring

In the title compound, C17H19NO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0383 (28) Å, and the piperidine ring adopts a chair conformation. The 2H-chromene ring makes dihedral angles of 32.89 (16) and 67.33 (8)°, respectively, with the mean planes of the piperidine ring and the carbodithioate group. In the crystal, C—H...O and weak C—H...S hydrogen bonds link the molecules into chains along [001]. The crystal structure also features C—H...π and π–π interactions, with a centroid–centroid distance of 3.7097 (17) Å.

scholarly journals 2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1876-o1876 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Safra Izuani Jama Asik ◽  
B. Garudachari ◽  
Arun M. Isloor ◽  
M. N Satyanarayan
Keyword(s):  
Hydrogen Bond ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C23H15BrO3, the anthracene ring system is essentially planar [maximum deviation = 0.29 (2) Å] and makes a dihedral angle of 5.74 (8)° with the mean plane of the bromo-substituted benzene ring. An intramolecular C—H...O hydrogen bond generates an S(9) ring motif. In the crystal, molecules are linked by C—H...O interactions, forming a two-dimensional network parallel to the ac plane. π–π stacking interactions are observed between benzene rings [centroid–centroid distances = 3.5949 (14) and 3.5960 (13) Å].

scholarly journals (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate

2012 ◽  
Vol 68 (6) ◽  
pp. o1584-o1584
Author(s):  
N. M. Mahabaleshwaraiah ◽  
K. Mahesh Kumar ◽  
O. Kotresh ◽  
Waleed Fadl Ali Al-eryani ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Planar Part ◽  
Chromene Ring

In the title compound, C17H19NO2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044 (2) Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65 (8)°. A weak intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...O hydrogen bonds and π–π interactions, with a centroid–centroid distance of 3.5728 (16) Å.

scholarly journals Methyl 3′-benzyl-4′-(2,4-dichlorophenyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o335-o335 ◽  
Author(s):  
S. Karthikeyan ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C27H24Cl2N2O3, the indole ring system is essentially planar, with a maximum deviation of 0.082 (2) Å for the carbonyl C atom. It makes a dihedral angle of 88.53 (6)° with the mean plane of the 4-methylpyrrolidine ring, which adopts an envelope conformation with the N atom at the flap position. The molecular structure is stabilized by intramolecular C—H...O hydrogen bonds, which generateS(6) andS(7) ring motifs, and an intramolecular π–π interaction involving the benzyl and dichloro-substituted benzene rings [centroid–centroid distance = 3.6291 (11) Å]. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, formingC(7) chains running parallel to [10-1].

scholarly journals Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2H-anthra[1,2-b][1,4]dioxepine-8,13-dione

2020 ◽  
Vol 76 (4) ◽  
pp. 576-580
Author(s):  
Sofia Zazouli ◽  
Mohammed Chigr ◽  
Ahmed Jouaiti ◽  
Nathalie Kyritsakas ◽  
El Mostafa Ketatni
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Ring System ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Supramolecular Network ◽  
Compound C ◽  
The Mean

The title compound, C17H12O4, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthraquinone ring system (r.m.s. deviation = 0.039 Å) and the dioxepine ring is 16.29 (8)°. In the crystal, the molecules are linked by C—H...O hydrogen bonds, forming sheets lying parallel to the ab plane. The sheets are connected through π–π and C=O...π interactions to generate a three-dimensional supramolecular network. Hirshfeld surface analysis was used to investigate intermolecular interactions in the solid-state: the most important contributions are from H...H (43.0%), H...O/O...H (27%), H...C/C...H (13.8%) and C...C (12.4%) contacts.

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