scholarly journals 4-(Octyloxy)phenyl 2-oxo-2H-chromene-3-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o212-o212 ◽  
Author(s):  
B. S. Palakshamurthy ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
K. R. Roopashree ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Best Fit ◽  
Chromene Ring

In the title compound, C24H26O5, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.029 (2) Å from the best-fit mean plane incorporating both rings. The dihedral angle between the 2H-chromene ring system and the benzene ring is 21.00 (1)°. In the crystal, pairs of C—H...O hydrogen bonds generate anR22(8) ring pattern. These contacts are bolstered by weaker bifurcated C—H...O hydrogen bonds.

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 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2350-o2350
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
B. K. Sarojini ◽  
B. J. Mohan ◽  
B. Narayana
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Helical Chain ◽  
Maximum Deviation ◽  
Compound C

In the title compound, C15H9Cl2F3N2O2, the 1,6-dihydropyrano[2,3-c]pyrazole ring system is almost planar, with a maximum deviation of 0.0226 (14) Å, and forms a dihedral angle of 69.90 (6)° with the benzene ring. In the crystal, molecules are linked into a helical chain along thecaxis by C—H...O hydrogen bonds.

scholarly journals 2-Amino-3-((E)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4H-chromen-4-one

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Seher Meral ◽  
Ayşen Alaman Ağar
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Chromene Ring

In the title compound, C17H11F3N2O2, the dihedral angle between the chromene ring system and the benzene ring is 19.19 (6)°, and an intramolecular N—H...N hydrogen bond closes anS(6) ring. In the crystal, molecules are linked into [100]C(6) chains by N—H...O hydrogen bonds.

scholarly journals 2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro-1,3-benzothiazole

2012 ◽  
Vol 68 (8) ◽  
pp. o2349-o2349
Author(s):  
Sammer Yousuf ◽  
Hina Siddiqui ◽  
Rabia Farooq ◽  
M. Iqbal Choudhary
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
Graph Set

In the title compound, C20H22N2S2, the five-membered thiazole ring of the 2-methyl-2,3-dihydro-1,3-benzothiazole unit has an envelope conformation. The dihedral angle between the planar [maximum deviation of 0.014 (1) Å for the S atom] benzothiazole ring system and the benzene ring is 78.37 (12)°. Two intramolecular C—H...S hydrogen bonds are observed, forming rings of graph-set motifS(6). In the crystal, the molecules are consolidated in pairs through N—H...N hydrogen bonds and are arranged parallel to thebaxis.

scholarly journals N-(4-Chlorophenyl)-2-(naphthalen-1-yl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2463-o2463
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C18H14ClNO, the naphthalene ring system [maximum deviation = 0.014 (9) Å] forms a dihedral angle of 74.8 (2)° with the benzene ring. In the crystal, molecules are linkedviaN—H...O hydrogen bonds into chains propagating along [010].

scholarly journals 4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide–ethanol–methanol (1/0.47/0.53)

2012 ◽  
Vol 68 (8) ◽  
pp. o2396-o2396 ◽  
Author(s):  
Mostafa M. Ghorab ◽  
Mansour S. Al-Said ◽  
Abdullah A. Al-Mishari ◽  
Ching Kheng Quah ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C16H12F3N3O2S·0.47C2H5OH·0.53CH3OH, the quinoline ring system is approximately planar, with a maximum deviation of 0.035 (3) Å, and makes a dihedral angle of 52.67 (9)° with the benzene ring. The F atoms of the –CF3group are disordered over two orientations, with refined site occupancies of 0.56 (2) and 0.44 (2). A single solvate site is occupied at random by ethanol or methanol, with refined site occupancies of 0.470 (6) and 0.530 (6), respectively. In the crystal, molecules are linkedviaN—H...O, N—H...N, O—H...O and C—H...O hydrogen bonds, thereby forming sheets lying parallel to (010).

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 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 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 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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