scholarly journals rac-(E,trans)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene

IUCrData ◽  
2020 ◽  
Vol 5 (9) ◽  
Author(s):  
Dieter Schollmeyer ◽  
Maximilian Heidrich ◽  
Heiner Detert
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Boat Conformation ◽  
Compound A ◽  
Envelope Conformation ◽  
Twist Boat

In the title compound, a cyclooctene ring in a twist-boat conformation and a dioxolane ring with a distorted envelope conformation are annulated in a trans configuration. Alternating strands of single enantiomers build up the crystal. Within the strands, the molecules are connected by weak C—H...O hydrogen bonds.

scholarly journals (1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol

2014 ◽  
Vol 70 (5) ◽  
pp. o595-o595
Author(s):  
Mohamed Loubidi ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Moha Berraho
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Axis Direction ◽  
Cedrus Atlantica ◽  
Compound C ◽  
Twist Boat

The title compound, C15H26O2, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the Atlas cedar (cedrus atlantica). The molecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The seven- and six-membered rings each have a twist-boat conformation. In the crystal, O—H...O hydrogen bonds link the molecules into zigzag chains running along theb-axis direction.

scholarly journals (E)-2-Phenyl-4-styryl-2,3-dihydro-1H-1,5-benzodiazepine hemihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Mohamed Loughzail ◽  
Mohamed Adardour ◽  
Slimane Dahaoui ◽  
Abdesselam Baouid
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecules ◽  
Rotation Axis ◽  
Unit Cell ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Axis Direction ◽  
Twist Boat

The unit cell contains eight molecules of the title compound, with half a water molecule per main molecule, C23H20N2·0.5H2O. The seven-membered diazepine ring adopts a twist-boat conformation and makes dihedral angles of 85.08 (7) and 32.79 (7)° with the phenyl and styryl substituents, respectively. In the crystal, the organic molecules are linked by C—H...N hydrogen bonds into chains running along the b-axis direction. The water molecule, located on a twofold rotation axis, forms hydrogen bridges, connecting two adjacent chains.

scholarly journals Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o802-o802
Author(s):  
Dawei Zhang ◽  
Peng Yang ◽  
Wei Liu ◽  
Jing Li
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Equatorial Position ◽  
Aryl Group ◽  
Compound C ◽  
Twist Boat

In the title compound, C22H19Cl2NO3, the central six-membered ring is in a twist-boat conformation. The two aryl groups are in equatorial positions,transto each other and with a dihedral angle of 77.50 (2)° between them. One of the least hindered –CH2– groups and one of the aryl-substituted C atoms, with its axial H atom, are in the flagpole positions. The ethoxycarbonyl group is in an equatorial position and iscisto the second aryl group. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains along [010].

scholarly journals 3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

2012 ◽  
Vol 68 (6) ◽  
pp. o1860-o1860
Author(s):  
S. Jeyaseelan ◽  
H. C. Devarajegowda ◽  
R. Sathishkumar ◽  
Agnes Sylvia D'souza ◽  
Alphonsus D'souza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Centroid Distance ◽  
Twist Boat

In the title compound, C12H11FN4S, the thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothiadiazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C—H...N hydrogen bonds. The crystal packing also exhibits π–π interactions, with a centroid–centroid distance of 3.6348 (15) Å.

scholarly journals 2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine

2014 ◽  
Vol 70 (2) ◽  
pp. o121-o121 ◽  
Author(s):  
B. C. Manjunath ◽  
M. Manjula ◽  
K. R. Raghavendra ◽  
S. Shashikanth ◽  
K. Ajay Kumar ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Twist Boat

In the title compound, C21H19NO2S2, the seven-membered thiazepine ring adopts a slightly distorted twist boat conformation. The dihedral angle between the benzene rings is 67.4 (2)°. The mean plane of the thiophene ring is twisted by 59.3 (2) and 87.7 (2)° from the mean planes of the benezene rings. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(20) loops.

scholarly journals Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diazabenzo[b]fluorene-3-carboxylate

2018 ◽  
Vol 74 (2) ◽  
pp. 124-126
Author(s):  
Yegor Yartsev ◽  
Pavel Lyubashov ◽  
Vyacheslav Povstyanoy ◽  
Mykhailo Povstyaniy ◽  
Iryna Lebedyeva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chiral Center ◽  
Thiazole Ring ◽  
Boat Conformation ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Twist Boat

The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C—H...O and C—H...S hydrogen bonds and C—H...π interactions. In addition, a short intermolecular S...N contact of 3.250 (3) Å indicates an interaction between the S atom and the π-system of the thiazole ring.

scholarly journals 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
R. Kalaivanan ◽  
V. Sughanya ◽  
N. Sureshbabu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C24H26O4, the central 4H-pyran ring adopts a flattened boat conformation, with the mean and maximum deviations of the ring being 0.0582 (6) and 0.1012 (3) Å, respectively. The two cyclohexenone rings on opposite sides of the pyran ring each adopt an envelope conformation; the C atom bearing a dimethyl substituent is the flap atom in each case. The mean planes of the pyran ring and the substituent benzene ring subtend a dihedral angle of 86.45 (2)°. In the crystal, molecules are linked into inversion dimers via pairs of C—H...O hydrogen bonds.

scholarly journals Crystal structure of 1,2,3,4-di-O-methylene-α-D-galactopyranose

2015 ◽  
Vol 71 (12) ◽  
pp. o961-o962
Author(s):  
Ioannis Tiritiris ◽  
Stefan Tussetschläger ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Sodium Methoxide ◽  
Three Dimensional ◽  
Boat Conformation ◽  
Pyranose Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Twist Boat

The title compound, C8H12O6, was synthesized by deacetylation of 6-acetyl-1,2,3,4-di-O-methylene-α-D-galactose with sodium methoxide. The central part of the molecule consists of a six-membered C5O pyranose ring with a twist-boat conformation. Both fused dioxolane rings adopt an envelope conformation with C and O atoms as the flap. In the crystal, O—H...O and C—H...O hydrogen bonds are present between adjacent molecules, generating a three-dimensional network.

scholarly journals Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester

2018 ◽  
Vol 74 (11) ◽  
pp. 1577-1579 ◽  
Author(s):  
Anatoly Mishnev ◽  
Egils Bisenieks ◽  
Ilona Mandrika ◽  
Ramona Petrovska ◽  
Zenta Kalme ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Metabolic Activity ◽  
Title Compound ◽  
Boat Conformation ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Dihydropyridine Ring

In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N—H...O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

scholarly journals Crystal structure of 2-chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone

2015 ◽  
Vol 71 (2) ◽  
pp. o135-o136
Author(s):  
V. Shreevidhyaa Suressh ◽  
K. Prathebha ◽  
S. Abdul Basheer ◽  
S. Ponnuswamy ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings ◽  
Twist Boat

In the title compound, C20H22ClNO, the piperidine ring has a twist-boat conformation. There is an intramolecular C—H...π interaction involving the two phenyl rings which are inclined to one another by 84.91 (7)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming helical chains along [010]. The chains are linked by C—H...π interactions, forming sheets parallel to (100).

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