scholarly journals (Z)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1796-o1797 ◽  
Author(s):  
Chin Wei Ooi ◽  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Murugan Sathishkumar ◽  
Alagusundaram Ponnuswamy
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings ◽  
Thiazolidine Ring

The title compound, C22H22N2OS, exists in a cis conformation with respect to the N=C bond. The cyclohexene ring adopts a distorted sofa conformation. The thiazolidine ring is essentially planar with a maximum deviation of 0.025 (2) Å and forms dihedral angles of 63.50 (7) and 57.52 (6)° with the benzene rings. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, generating R 2 2(8) ring motifs, and forming infinite chains along the c axis. The crystal is further consolidated by C—H...π interactions.

scholarly journals 3-(2,4-Dichlorophenoxy)-1-(4-methoxybenzyl)-4-(4-nitrophenyl)azetidin-2-one

2014 ◽  
Vol 70 (8) ◽  
pp. o835-o836 ◽  
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Roghayeh Heiran ◽  
Namık Özdemir
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Packing ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Lactam Ring

The β-lactam ring of the title compound, C23H18Cl2N2O5, is nearly planar [maximum deviation = 0.019 (2) Å for the N atom] and its mean plane makes dihedral angles of 56.86 (15), 68.83 (15) and 83.75 (15)° with the dichloro-, nitro- and methoxy-substituted benzene rings, respectively. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers withR22(10) loops. The dimers are linked by further C—H...O hydrogen bonds, forming sheets lying parallel to (001). The molecular packing is further stabilized by C—H...π interactions.

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 N-[4-(4-Nitrophenoxy)phenyl]acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2485-o2485 ◽  
Author(s):  
Asifa Nigar ◽  
Zareen Akhter ◽  
M. Nawaz Tahir
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C14H12N2O4, contains two molecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N—H...O hydrogen bonds formC(4) chains along [100]. These chains are interlinked by C—H...O contacts formingR22(10) rings. In the crystal, π–π interactions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of molecule.

scholarly journals (Z)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2563-o2564 ◽  
Author(s):  
Chin Wei Ooi ◽  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Murugan Sathishkumar ◽  
Alagusundaram Ponnuswamy
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Phenyl Rings ◽  
Thiazolidine Ring

The title compound, C22H22N2OS, exists in aZconfiguration with respect to the N=C bond. The cyclohexene ring adopts a distorted sofa conformation. The thiazolidine ring is essentially planar, with a maximum deviation of 0.030 (2) Å, and forms dihedral angles of 76.66 (6) and 74.55 (6)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 71.55 (7)°. In the crystal, a C—H...π interaction is observed.

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

2012 ◽  
Vol 68 (6) ◽  
pp. o1863-o1863 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Elumalai Manogaran ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Zigzag Chain ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Benzene Rings

In the title compound, C22H17ClN2O2, the essentially planar benzimidazole ring system [maximum deviation = 0.012 (2) Å] forms dihedral angles of 28.69 (6) and 63.65 (7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23 (8)°. In the crystal, molecules are linked into a zigzag chain along the a axis by intermolecular C—H...O hydrogen bonds. C—H...π interactions are also present.

scholarly journals 2,4-Dichloro-N-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
S. Gomathi ◽  
D. Reuben Jonathan ◽  
E. R. A. Dravida Thendral ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H18Cl4N2O2, the piperdine ring adopts a chair conformation. The dihedral angles between its mean plane and the two benzene rings are 45.5 (3) and 28.0 (3)°, while the benzene rings are inclined to one another by 54.5 (3)°. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along thea-axis direction. Neighbouring chains are linked by C—H...π interactions, forming double-stranded chains along [100].

scholarly journals 2-Methoxy-4-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Bharathkumar Inturi ◽  
K. R. Roopashree ◽  
Gurubasavaraj V. Pujar ◽  
Irfan Ali Mohammed ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
And Inversion ◽  
Ring Motif

In the title compound, C16H15N3O4, the pyrazole ring has an envelope conformation, with the C atom substituted by the 2-methoxyphenol ring as the flap. Its mean plane makes dihedral angles of 56.78 (9) and 9.7 (1)° with the 2-methoxyphenol and 3-nitrophenyl rings, respectively. The benzene rings are inclined to one another by 49.37 (8)°. In the crystal, molecules are linked by pairs of O—H...N hydrogen bonds, forming inversion dimers with anR22(16) ring motif. The dimers are linked by C—H...O hydrogen bonds, forming slabs parallel to theacplane. There are slipped parallel π–π interactions present within the slabs, involving inversion-related 2-methoxyphenol rings [intercentroid distance = 3.729 (1) Å] and inversion-related 3-nitrophenyl rings [intercentroid distance = 3.831 (1) Å].

scholarly journals 3,5-Bis(4-methoxyphenyl)-1H-1,2,4-triazole monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1260-o1260
Author(s):  
Hai-Ying Wang ◽  
Jian-Ping Ma ◽  
Ru-Qi Huang ◽  
Yu-Bin Dong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Double Chain ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C16H15N3O2·H2O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong intermolecular O—H...N and N—H...O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to theaaxis. Weak π—π interactions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to theacplane.

scholarly journals N-(1-Acetyl-5-benzoyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1677-o1677
Author(s):  
Xiao-Guang Bai ◽  
Ju-Xian Wang ◽  
Yu-Cheng Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the molecule of the title compound, C21H18N4O3, the fused pyrrolo[3,4-c]pyrazole ring system is approximately planar [maximum deviation = 0.0486 (16) Å] and forms dihedral angles of 87.21 (8) and 35.46 (7)° with the phenyl rings. In the crystal, N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions link the molecules into chains parallel to [201].

scholarly journals 1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1023-o1023
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, molecules are linkedviabifurcated (C,C)–H...O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H...π interactions.

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