scholarly journals Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid

2015 ◽  
Vol 71 (2) ◽  
pp. o77-o78 ◽  
Author(s):  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Hydroxypropyl Group

In the title compound, C25H22N2O3, the central imidazole ring makes dihedral angles of 48.43 (10), 20.23 (10) and 75.38 (11)° with the benzene ring and the two phenyl rings, respectively. The phenyl ring adjacent to the N-bonded 2-hydroxypropyl group shows the greatest twist, presumably to minimize steric interactions. In the crystal, molecules are linked by O—H...N, O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions are also observed.

scholarly journals Crystal structure of 1-[2-(2,6-dichlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol

2015 ◽  
Vol 71 (5) ◽  
pp. o299-o300 ◽  
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Adel A. Marzouk ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Ring ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Phenyl Rings ◽  
Hydroxypropyl Group

The central imidazole ring of the title compound, C24H20Cl2N2O, is twisted with respect to with the planes of the 2,6-dichlorobenzene and two phenyl rings, making dihedral angles of 74.06 (18), 28.52 (17) and 67.65 (18)°, respectively. The phenyl ring not adjacent to the N-bonded 2-hydroxypropyl group shows the greatest twist, presumably to minimize steric interactions. In the crystal, molecules are linked by O—H...N and C—H...O hydrogen-bond contacts into chains along thea-axis direction. The series of parallel chains form a two-dimensional sheet approximately parallel to thebcdiagonal. In addition, C—H...π interactions are observed between the sheets. The atoms of the 2-hydroxypropyl group and the N atom of the 1H-imidazole ring to which it is bonded are disordered over two sets of sites, with an occupancy ratio of 0.722 (5):0.278 (5). The structure was refined as an inversion twin.

scholarly journals Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one

2020 ◽  
Vol 76 (5) ◽  
pp. 720-723
Author(s):  
Farid N. Naghiyev ◽  
Mehmet Akkurt ◽  
Rizvan K. Askerov ◽  
Ibrahim G. Mamedov ◽  
Rovnag M. Rzayev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Benzoyl Group ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C25H20O2, the central cyclohexenone ring adopts an envelope conformation. The mean plane of the cyclohexenone ring makes dihedral angles of 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the molecules are linked by C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one

2015 ◽  
Vol 71 (1) ◽  
pp. o12-o13
Author(s):  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Habib Allah Shafie ◽  
Ömer Çelik
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Lactam Ring

In the title compound, C22H18N2O5, the central β-lactam ring (r.m.s. deviation = 0.002 Å) makes dihedral angles of 64.21 (14), 82.35 (12) and 20.66 (13)° with the phenyl ring and the nitro- and methoxybenzene rings, respectively. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming slabs lying parallel to (111). The slabs are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 2-[2-phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1H-indole

2015 ◽  
Vol 71 (12) ◽  
pp. o910-o911
Author(s):  
M. Umadevi ◽  
Potharaju Raju ◽  
R. Yamuna ◽  
Arasambattu K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C28H23NO4S2, the indole ring system (r.m.s. deviation = 0.007 Å) subtends dihedral angles of 78.69 (13) and 38.97 (13)° with the planes of the N- and C-bonded sulfonylbenzene rings, respectively, and these two benzene rings are inclined to each other at an angle of 65.45 (16)°. The methylene-linked phenyl ring is twisted at an angle of 81.80 (13)° from the indole ring. The molecular structure features two short intramolecular C—H...O contacts, which both generateS(6) rings. In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, generating a three-dimensional network.

scholarly journals 3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazole

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Mohammad M. Ibrahim ◽  
Mahmoud Al-Refai ◽  
Basem F. Ali ◽  
Armin Geyer ◽  
Klaus Harms ◽  
...  
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C16H16Cl2N2O2S, the pyrazole ring has an envelope conformation with the C atom bearing the phenyl ring being the flap. The dihedral angles between the central pyrazole ring (all atoms) and pendant thiophene and phenyl rings are 2.00 (14) and 81.49 (12)°, respectively. In the crystal, weak C—H...O, Cl...π and π–π stacking interactions link the molecules into a three-dimensional network.

scholarly journals The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate

2017 ◽  
Vol 73 (7) ◽  
pp. 927-931 ◽  
Author(s):  
C. S. Chidan Kumar ◽  
Ai Jia Sim ◽  
Weng Zhun Ng ◽  
Tze Shyang Chia ◽  
Wan-Sin Loh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (AandB) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° inAandB, respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å inAand 3.8182 (14) Å inB].

scholarly journals 2-(3,4-Dimethoxyphenyl)-1-pentyl-4,5-diphenyl-1H-imidazole

2013 ◽  
Vol 69 (12) ◽  
pp. o1833-o1834
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Adel A. Marzouk ◽  
Kuldip Singh ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings

The central imidazole ring in the title compound, C28H30N2O2, makes dihedral angles of 28.42 (13), 71.22 (15) and 29.50 (14)°, respectively, with the phenyl rings in the 4- and 5-positions and the 3,4-dimethoxyphenyl group. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, weak π–π stacking interactions [centroid–centroid distance = 3.760 (2) Å] and C—H...π contacts, forming a three-dimensional network.

scholarly journals Crystal structure of pyrazoxyfen

2015 ◽  
Vol 71 (12) ◽  
pp. o1033-o1034 ◽  
Author(s):  
Eunjin Kwon ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C20H16Cl2N2O3(systematic name: 2-{[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl}oxy}-1-phenylethan-1-one), is the benzoylpyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent molecules,AandB, in which the pyrazole ring makes dihedral angles of 80.29 (10) and 61.70 (10)° and 87.60 (10) and 63.92 (8)°, respectively, with the dichlorophenyl and phenyl rings. In the crystal, C—H...O and C—H...N hydrogen bonds, and C—H...π and π–π [3.646 (2) Å] interactions link adjacent molecules, forming a two-dimensional network parellel to (011). In addition, the networks are linked by weak intermolecular C—Cl...π [3.356 (2), 3.950 (2), 3.250 (2) and 3.575 (2) Å] interactions, resulting in a three-dimensional architecture.

scholarly journals Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

2015 ◽  
Vol 71 (11) ◽  
pp. o880-o881 ◽  
Author(s):  
Santosh Paswan ◽  
Manoj K. Bharty ◽  
Sanyucta Kumari ◽  
Sushil K. Gupta ◽  
Nand K. Singh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Furan Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H...O contact generates anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22[8] loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network.

scholarly journals 5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
S. Madan Kumar ◽  
N. Manju ◽  
Asma ◽  
Balakrishna Kalluraya ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the crystal structure of the title compound, C17H12Cl2N2O2, the pyrazole ring makes dihedral angles of 65.0 (2) and 43.9 (2)° with the dichlorophenyl and phenyl rings, respectively. The dihedral angle between the chlorophenyl and phenyl rings is 59.1 (2)°. In the crystal, the molecules are linked by C—H...O hydrogen bonds and weak C—Cl...π and C—H...π interactions, generating a three-dimensional network.

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