scholarly journals Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Necmi Dege ◽  
Mehmet Akkurt ◽  
Omyma A. Abd Allah ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Dihydropyridine Ring ◽  
Twisted Boat

In the title compound, C27H32BrNO5, the central 1,4-dihydropyridine ring adopts a shallow sofa conformation (with the C atom bearing the bromophenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. The molecule features an intramolecular O—H...O hydrogen bond, which closes anS(8) ring. In the crystal, molecules are linked by C—H...O interactions, formingC(12) chains along thec-axis direction. The ethyl acetate grouping is disordered over two sets of sites in a 0.719 (11):0.281 (11) ratio.

scholarly journals Crystal structure of 9-(3-bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

2014 ◽  
Vol 70 (8) ◽  
pp. 44-47 ◽  
Author(s):  
Antar A. Abdelhamid ◽  
Shaaban K. Mohamed ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Carbonyl Groups ◽  
Axis Direction ◽  
Compound C ◽  
Dihydropyridine Ring

The title compound C25H29BrClNO4, comprises a 3,3,6,6-tetramethyltetrahydroacridine-1,8-dione ring system that carries a hydroxyethyl substituent on the acridine N atom and a 3-bromo-5-chloro-2-hydroxyphenyl ring on the central methine C atom of the dihydropyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 89.84 (6)° and this conformation is stabilized by an intramolecular O—H...O hydrogen bond between the hydroxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. In the crystal, O—H...O, C—H...O and C—H...Br hydrogen bonds combine to stack molecules in interconnected columns propagating along thea-axis direction.

scholarly journals 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H22N4O2S, the dihedral angle between the triazole and thiophene rings is 4.83 (14)°. The dihedral angles between the triazole and tolyl rings and between the thiophene and phenyl rings are 48.42 (16) and 9.23 (13)°, respectively. An intramolecular N—H...O hydrogen bond closes anS(6) loop. In the crystal, molecules are stacked parallel to thea-axis direction with weak π–π interactions between adjacent thiophenyl and triazolyl groups within the stack [centroid–centroid separation = 3.9811 (16) Å].

scholarly journals 2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1146-o1146
Author(s):  
Chuan-Wen Sun ◽  
Yan-Xia Chen ◽  
Tian-Yan Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Methyl Ethyl ◽  
Compound C ◽  
Dihydropyridine Ring

In the title compound, C21H21ClN6O2·C2H6O, a member of the insecticidal active neonicotinoid group of compounds, the 1,4-dihydropyridine ring adopts a boat conformation. An intramolecular C—H...O hydrogen bond occurs while the components are linked by an N—H...O interaction. The crystal packing is stablized by O—H...N hydrogen bonds and C—H...O interactions.

scholarly journals Crystal structure of 9-methacryloylanthracene

2015 ◽  
Vol 71 (4) ◽  
pp. 357-359 ◽  
Author(s):  
Aditya Agrahari ◽  
Patrick O. Wagers ◽  
Steven M. Schildcrout ◽  
John Masnovi ◽  
Wiley J. Youngs
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Side Chain ◽  
Weak Hydrogen Bond ◽  
Axis Direction ◽  
Compound C ◽  
Centroid Distance

In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2—Csp2bond in the side chain istransoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel–planar orientations [shortest centroid–centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in thea-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.

scholarly journals Crystal structure of 2-[9-(2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

2015 ◽  
Vol 71 (12) ◽  
pp. o963-o964 ◽  
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omyma A. Abd Allah ◽  
Asmaa H. A. Tamam ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Acid ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Dihydropyridine Ring ◽  
Twisted Boat ◽  
Phenol Ring

The title compound, C21H21NO5, crystallizes with two molecules in the asymmetric unit. In each molecule, the central 1,4-dihydropyridine ring adopts a shallow sofa conformations (with the C atom bearing the phenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. Each molecule features an intramolecular O—H...O hydrogen bond, which closes anS(8) ring. In the crystal, the molecules are linked by O—H...O, C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
R. Anil Kumar ◽  
S. Naveen ◽  
M. Abdul Rahiman ◽  
K. M. Mahadevan ◽  
M. N. Kumara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C

In the title compound, C16H11NO2, the benzofuran and indole ring systems are nearly orthogonal, subtending a dihedral angle of 86.55 (4)°. The crystal structure features an N—H...O hydrogen bond, which leads to the formation of chains propagating along thea-axis direction.

scholarly journals Crystal structure of 2-azido-1H-imidazole-4,5-dicarbonitrile

2015 ◽  
Vol 71 (9) ◽  
pp. o633-o633 ◽  
Author(s):  
G. Kenneth Windler ◽  
Brian L. Scott ◽  
Neil C. Tomson ◽  
Philip W. Leonard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Central Ring ◽  
Axis Direction ◽  
Compound C ◽  
Ring Molecules ◽  
A Chain

In the title compound, C5HN7, the nitrile and azido substituents are close to being coplanar with the central ring. Molecules in the crystal are linkedviaan N—H...N hydrogen bond to a nitrile acceptor, forming a chain extending along thec-axis direction.

scholarly journals Crystal structure of 2-benzamido-N-(2,2-diethoxyethyl)benzamide

2015 ◽  
Vol 71 (3) ◽  
pp. o214-o215
Author(s):  
Abdelaaziz Ouahrouch ◽  
Moha Taourirte ◽  
Hassan B. Lazrek ◽  
Joachim W. Engels ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Peptide Bonds ◽  
Axis Direction ◽  
Compound C

In the title compound, C20H24N2O4, both peptide bonds adopt atransconfiguration with respect to the —N—H and —C=O groups. The dihedral angle between the aromatic rings is 53.58 (4)°. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. The crystal packing is characterized by zigzag chains of N—H...O hydrogen-bonded molecules running along theb-axis direction.

scholarly journals N-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide

2014 ◽  
Vol 70 (5) ◽  
pp. o570-o570 ◽  
Author(s):  
Nor Wahida. Awang ◽  
Siti Aishah Hasbullah ◽  
Siti Fairus M. Yusoff ◽  
Bohari M. Yamin
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C

In the title compound, C12H15FN2O2S, the molecule adopts acisconfiguration of the fluorobenzoyl group with respect to the thiono group about their C—N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60 (11)°. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules form chains along theb-axis directionviaO—H...S and C—H...O hydrogen bonds.

scholarly journals Crystal structure of (S)-2-amino-2-methylsuccinic acid

2015 ◽  
Vol 71 (10) ◽  
pp. o731-o732 ◽  
Author(s):  
Isao Fujii
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Succinic Acid ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Compound C ◽  
Methylsuccinic Acid ◽  
Ring Motif

The title compound, C5H9NO4, crystallized as a zwitterion. There is an intramolecular N—H...O hydrogen bond involving thetrans-succinic acid and the ammonium group, forming anS(6) ring motif. In the crystal, molecules are linked by O—H...O hydrogen bonds, formingC(7) chains along thec-axis direction. The chains are linked by N—H...O and C—H...O hydrogen bonds, forming sheets parallel to thebcplane. Further N—H...O hydrogen bonds link the sheets to form a three-dimensional framework.

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