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 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 3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1736-o1737
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
B. K. Sarojini ◽  
U. A. Imran ◽  
B.G. Krishna
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Triazine Ring ◽  
Compound C ◽  
Graph Set

In the title compound, C17H10Cl2N4OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H...O hydrogen bonds link the molecules, forming inversion dimers with an R 2 2(18) graph-set motif. A short S...N contact of 2.801 (3) Å is observed between the dimers.

scholarly journals 2-(Naphthalen-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2464-o2464 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C15H12N2OS, the naphthalene ring system [maximum deviation = 0.026 (1) Å] forms a dihedral angle of 85.69 (6)° with the thiazole ring [maximum deviation = 0.010 (1) Å]. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22(8) loops. The dimers are linked by C—H...O hydrogen bonds into chains propagating along [110].

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 2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2581-o2581 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Cecília Santos Silva ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The molecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothioamide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, molecules are linked into chains along [1-10] by pairs of N—H...S hydrogen bonds between molecules related by centres of symmetry.

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 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 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-(2-Fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2565-o2565 ◽  
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 ◽  
Thiazole Ring ◽  
Compound C

In the title compound, C11H9FN2OS, the 1,3-thiazole ring is planar (r.m.s. deviation = 0.007 Å) and forms a dihedral angle of 73.75 (5)° with the benzene ring. In the crystal, molecules are linkedviapairs of N—H...N and C—H...F hydrogen bonds into chains along [100].

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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