2-(2-Ethoxyphenyl)-1H-benzimidazole monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4208-o4208
Author(s):  
Gabriel Navarrete-Vázquez ◽  
Hermenegilda Moreno-Diaz ◽  
Samuel Estrada-Soto ◽  
Hugo Tlahuext
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Benzene Rings ◽  
Hydrogen Bonding Network

In the title compound, C15H14N2O·H2O, the dihedral angle between the benzimidazole ring system and the benzene ring is 6.74 (18)°. The water molecule takes part in the hydrogen-bonding network (N...H—O—H...N), connecting neighboring benzimidazole molecules. The packing is further stabilized by a π–π interaction between two adjacent benzimidazole ring systems, with a distance between the centroids of the benzene rings of 3.8315 (12) Å.

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 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1354-o1354
Author(s):  
Jinpeng Zhang ◽  
Jie Ding ◽  
Shu Yan ◽  
Liangce Rong ◽  
Lichun Xu
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the molecule of the title compound, C20H13FN2O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H...O, C—H...O and C—H...F interactions link the molecules into chains. π–π contacts between the quinoline and benzene rings [centroid–centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C—H...π interaction is also present. The O atom and two of the CH2groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489 (17) and 0.511 (17), while C and H atoms were refined with occupancies of 0.435 (13) and 0.565 (13).

scholarly journals Dimethyl [(4-fluorophenyl)(6-methoxybenzothiazol-2-ylamino)methyl]phosphonate

2009 ◽  
Vol 65 (6) ◽  
pp. o1199-o1200 ◽  
Author(s):  
Yan-Ping Hong ◽  
Bao-An Song ◽  
Xin-Chen Shangguan
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the molecule of title compound, C17H18FN2O4PS, both the benzene ring with its conjunction C atom and the benzothiazole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothiazole and benzene rings is 119.05 (3)°. The molecular packing is stabilized by intermolecular N—H...O, C—H...N and C—H...F hydrogen bonding, and by C—H...π and π–π stacking interactions [centroid–centroid distances = 2.99 (2), 2.96 (3), 2.88 (2) and 3.773 (4) Å].

scholarly journals 3-[(1H-Benzimidazol-2-yl)sulfanylmethyl]benzonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1358-o1358 ◽  
Author(s):  
Jin Rui Lin ◽  
Jia He ◽  
Yang Qian ◽  
Hong Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Compound C

In the title compound, C15H11N3S, the dihedral angle between the benzimidazole ring system and the benzene ring is 51.8 (2)°. The crystal structure exhibits intermolecular N—H...N hydrogen bonds which lead to the formation ofC(4) chains along the [001] direction.

scholarly journals Crystal structure of 2-(4-chloro-3-fluorophenyl)-1H-benzimidazole

2015 ◽  
Vol 71 (6) ◽  
pp. o387-o388 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at themetaposition of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming infiniteC(4) chains propagating along [010]. In addition, weak C—H...π and π–π interactions [shortest centroid–centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network.

scholarly journals N-Acetyl-N-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1177-o1178 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Shaeel A. Al-Thabaiti ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C27H21N3O3, the cyclohexa-1,3-diene ring has a screw-boat conformation, and the fused ring system is folded, the dihedral angle between the outer benzene rings being 27.61 (6)°. TheN-acetylacetamide residue (r.m.s. deviation = 0.0935 Å) has ananticonformation and is essentially perpendicular to the benzene ring to which it is connected [dihedral angle = 89.14 (6)°]; the methoxybenzene group is also twisted out of this ring [dihedral angle = 59.47 (7)°]. The three-dimensional architecture is consolidated by C—H...O and C—H...π interactions.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

scholarly journals N-(2,2-Dimethylpropanoyl)-N′-(2-methoxyphenyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1129-o1129 ◽  
Author(s):  
Maisara A. Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C13H18N2O2S, the carbonylthiourea fragment is nearly planar with an r.m.s. deviation of 0.0096 Å. The dihedral angle between carbonylthiourea group and the benzene ring is 19.16 (16)°. There are two intramolecular N—H...O hydrogen bonds, which lead to two pseudo-six-membered rings. Weak intramolecular C—H...S hydrogen bonding also occurs.

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 4-Formyl-2-nitrophenyl 2-chlorobenzoate

2013 ◽  
Vol 69 (12) ◽  
pp. o1806-o1806 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Geraldine Hernandez ◽  
Javier Ellena ◽  
Carlos A. De Simone ◽  
Juan C. Tenorio
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ester Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains, which run along [100].

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