scholarly journals Crystal structure of (7-chloro-2-oxo-2H-chromen-4-yl)methylN,N-dimethylcarbamodithioate

2015 ◽  
Vol 71 (4) ◽  
pp. o263-o264
Author(s):  
H. D. Kavitha ◽  
M. Vinduvahini ◽  
N. M. Mahabhaleshwaraiah ◽  
O. Kotresh ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Chromene Ring

In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005 (2) Å. The packing features C—H...S hydrogen bonds and π–π interactions between fused benzene rings of chromene [shortest centroid–centroid distances = 3.6553 (13) and 3.5551 (13) Å].

scholarly journals Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1268-o1269
Author(s):  
M. Kayalvizhi ◽  
G. Vasuki ◽  
R. Raj Kumar ◽  
V. Rajeswar Rao
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Chromene Ring

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—H...Cl interactions extending in (100) and propagating along thea-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].

scholarly journals (6-Bromo-2-oxo-2H-chromen-4-yl)methyl diethylcarbamodithioate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
M. Vinduvahini ◽  
B. R. Anitha ◽  
K. Mahesh Kumar ◽  
O. Kotresh ◽  
H. C. Devarajegowda
Keyword(s):  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Chromene Ring

In the title compound, C15H16BrNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0182 (22) Å. In the crystal, π–π interactions between pyran and benzene rings of chromene [shortest centroid–centroid distance = 3.7588 (14) Å] occur.

scholarly journals 6-tert-Butyl-4-[(4-hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-2H-chromen-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Nasseem El-Khatatneh ◽  
Chandra ◽  
D. Shamala ◽  
K. Shivashankar ◽  
M. Mahendra
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Hydroxymethyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Chromene Ring

In the title compound, C17H19N3O3, the triazole ring and the chromene ring system [maximum deviation = 0.018 (2) Å for the O atom] bridged via a methylene C atom, are inclined to one another by 73.2 (1)°. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming zigzag chains along [001]. The chains are linked by C—H...O hydrogen bonds, forming layers parallel to (010), and these layers are linked by C—H...π and π–π interactions [intercentroid distance = 3.557 (1) Å], forming a three-dimensional newwork. The hydroxymethyl group at the 4-position of the triazole ring is disordered over two sets of sites, with a refined occupancy ratio of 0.418 (11):0.584 (11).

scholarly journals Ethyl 2-(4-bromophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1683-o1683 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Mohamed Ashraf Ali ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Benzimidazole Ring ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H17BrN2O2, the benzimidazole ring system is essentially planar, with a maximum deviation of 0.017 (1) Å, and forms dihedral angles of 27.79 (6) and 64.43 (6)° with the phenyl and bromo-substituted benzene rings, respectively. In the crystal, molecules are linked into one-dimensional chains along the a axis by weak C—H...O hydrogen bonds. Weak intermolecular C—H...π interactions are also present.

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 Crystal structure of 5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1028-o1028
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 ◽  
Benzene Rings

In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methylphenyl ring is 70.35 (5)°. In the crystal, molecules are linked by pairs of π–π interactions between the furan and benzene rings, with centroid–centroid distances of 3.667 (3) and 3.701 (3) Å. The molecules stack along thea-axis direction. In addition, pairs of C—H...O hydrogen bonds between inversion-related dimers [which generateR22(10) loops] and a short I...I [3.7534 (3) Å] contact are observed.

scholarly journals 3-(2-Methylamino-1,3-thiazol-4-yl)-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2416-o2417 ◽  
Author(s):  
Samina Khan Yusufzai ◽  
Hasnah Osman ◽  
Aisyah Saad Abdul Rahim ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Chromene Ring

In the title compound, C13H10N2O2S, the essentially planar 2H-chromene ring system [maximum deviation = 0.0297 (13) Å] and the thiazole ring [maximum deviation = 0.0062 (11) Å] form a dihedral angle of 3.47 (5)°. In the crystal, N—H...N and C—H...O hydrogen bonds link the molecules into two-dimensional networks parallel to thebcplane. C—H...π and π–π [centroid–centroid separation = 3.6796 (8) Å] interactions further stabilize the crystal structure.

scholarly journals Crystal structure of 2-methyl-N-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o636-o636
Author(s):  
Nadiah Ameram ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiourea Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C16H17N3OS, a benzoyl thiourea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intramolecular N—H...O hydrogen bond present forming anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C—H...S hydrogen bonds. The dimers are linkedviaC—H...π interactions, forming ribbons along [010].

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

2013 ◽  
Vol 69 (11) ◽  
pp. o1684-o1685
Author(s):  
O. Kotresh ◽  
H. C. Devarajegowda ◽  
Arunkumar Shirahatti ◽  
K. Mahesh Kumar ◽  
N. M. Mahabhaleshwaraiah
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Spacing ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—H...S and C—H...O interactions generateR22(24) andR22(10) loops, respectively. Further C—H...O hydrogen bonds link the dimers into [100] chains. C—H...π interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings.

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

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