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

2015 ◽  
Vol 71 (12) ◽  
pp. o928-o929
Author(s):  
B. R. Anitha ◽  
A. Thomas Gunaseelan ◽  
M. Vinduvahini ◽  
H. D. Kavitha ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C—H...F hydrogen bonds generateR22(8) loops; C—H...O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π–π stacking interactions between the pyran rings of the chromene systems [centroid–centroid distance = 3.6940 (16) Å] are also observed.

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

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
B. R. Anitha ◽  
K. R. Roopashree ◽  
K. Mahesh Kumar ◽  
A. J. Ravi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C17H19NO3S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.080 (2) Å, and the morpholine ring adopts a chair conformation. The bond-angle sum at the N atom is 358°. The coumarin unit makes dihedral angle of 86.34 (9)° with the morpholine ring. A short intramolecular C—H...S contact generates anS(7) ring. In the crystal, inversion dimers linked by pairs of weak C—H...O hydrogen bonds generateR22(16) loops. Aromatic π–π interactions interactions [shortest centroid–centroid distance = 3.8599 (13) Å] also occur.

scholarly journals Crystal structure of (6-bromo-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

2015 ◽  
Vol 71 (7) ◽  
pp. o489-o490
Author(s):  
K. Mahesh Kumar ◽  
K. R. Roopashree ◽  
M. Vinduvahini ◽  
O. Kotresh ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Morpholine Ring ◽  
Chromene Ring

In the title compound, C15H14BrNO3S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.034 (2) Å, and the morpholine ring adopts a chair conformation. The dihedral angle between best plane through the 2H-chromene ring system and the morpholine ring is 86.32 (9)°. Intramolecular C—H...S hydrogen bonds are observed. In the crystal, inversion-related C—H...S and C—H...O interactions generateR22(10) andR22(8) rings patterns, respectively. In addition, the crystal packing features π–π interactions between fused benzene rings [centroid–centroid distance = 3.7558 (12) Å].

scholarly journals Crystal structure of dibromomethoxyseselin (DBMS), a photobiologically active pyranocoumarin

2017 ◽  
Vol 73 (5) ◽  
pp. 774-776 ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
A. F. M. M. Rahman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Ring Form ◽  
Compound C ◽  
Naturally Occurring

The title compound, C15H14Br2O4[systematic name:rac-(9S,10R)-3,9-dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2(8H)-one], is a pyranocoumarin derivative formed by the bromination of seselin, which is a naturally occurring angular pyranocoumarin isolated from the Indian herbTrachyspermum stictocarpum. In the molecule, the benzopyran ring system is essentially planar, with a maximum deviation of 0.044 (2) Å for the O atom. The dihydropyran ring is in a half-chair conformation and the four essentially planar atoms of this ring form a dihedral angle of 4.6 (2)° with the benzopyran ring system. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains propagating along [010]. In addition, π–π stacking interactions, with centroid–centroid distances of 3.902 (2) and 3.908 (2) Å, link the hydrogen-bonded chains into layers parallel to (001).

scholarly journals Crystal structure of 3-methyl-1-phenyl-6-propylamino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

2015 ◽  
Vol 71 (10) ◽  
pp. o766-o767
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Hajjaj H. M. Abdu-Allah ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Phenyl Group ◽  
Ring System ◽  
Side Chain ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C17H17N5, the dihedral angle between the 1H-pyrazolo[3,4-b]pyridine ring system (r.m.s. deviation = 0.001 Å) and the attached phenyl group is 2.56 (6)°. The propylamino side chain has a contorted conformation [Car—N—C—C = −77.97 (16)° and N—C—C—C = −57.37 (17)°]. An intramolecular C—H...N interaction closes anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22(12) loops. Aromatic π–π stacking interactions [centroid–centroid distance = 3.5726 (8) Å] are also observed.

scholarly journals (6-Methoxy-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate

2013 ◽  
Vol 69 (11) ◽  
pp. o1683-o1683 ◽  
Author(s):  
K. Mahesh Kumar ◽  
M. Vinduvahini ◽  
N. M. Mahabhaleshwaraiah ◽  
O. Kotresh ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C17H19NO3S2, the maximum deviation of atoms in the 2H-chromene ring system is 0.0097 (14) Å and the piperidine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring and the piperidine ring (all atoms) is 87.59 (8)°. In the crystal, inversion dimers linked by pairs of C—H...O interactions generateR22(22) loops. Further C—H...O hydrogen bonds link the dimers into [110] chains and weak aromatic π–π stacking [shortest centroid–centroid distance = 3.824 (8) Å] is also observed.

scholarly journals Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione

2015 ◽  
Vol 71 (4) ◽  
pp. o231-o232 ◽  
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H14BrN3O3, the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and −0.051 (2) Å. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linkedviaC—H...O and π–π stacking interactions [centroid–centroid distance = 3.4451 (14) Å], forming slabs parallel to thebcplane.

scholarly journals Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1734-o1734
Author(s):  
K. Mahesh Kumar ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh ◽  
S Jeyaseelan ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C19H17NO6, the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34 (6)°. A short intramolecular C—H...O contact occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C—H...O interactions and the packing also exhibits π–π stacking interactions between benzene and pyran rings, with a centroid–centroid distance of 3.676 (9) 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 (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.

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