scholarly journals Crystal structure of (9S,10S)-10-ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-methylbenzenesulfonate

2015 ◽  
Vol 71 (12) ◽  
pp. o1082-o1083 ◽  
Author(s):  
Waseem Gul ◽  
Ahmed Galal ◽  
Mahmoud A. ElSohly ◽  
Paulo Carvalho
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Helical Chain ◽  
Aromatic Rings ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Methylene Group

In the structure of the title compound, C30H40O6S, the cyclohexene and heterocyclic rings are linked by a double bond. The cyclohexene ring has a half-chair conformation (the methylene group adjacent to the hydroxy substituent lies above the remaining atoms) and the hydroxy and ethoxy groups have equatorial and bisectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe2C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)°. A long intramolecular C—H...S interaction is noted. In the molecular packing, hydroxy-O—H...O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C—H...O(sulfonate) and lead to supramolecular layers that lie parallel to (001). The studied crystal was an inversion twin.

scholarly journals Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline

2014 ◽  
Vol 70 (11) ◽  
pp. o1176-o1176 ◽  
Author(s):  
S. Jeyaseelan ◽  
K.V. Asha ◽  
G. Venkateshappa ◽  
P. Raghavendrakumar ◽  
B.S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74 (10)°. In the crystal, molecules are linked by C—H...O hydrogen bonds to generate [010] chains.

scholarly journals Crystal structure of 1-benzylsulfonyl-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (4) ◽  
pp. o249-o250 ◽  
Author(s):  
S. Jeyaseelan ◽  
B. R. Sowmya ◽  
G. Venkateshappa ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 354.6°. The dihedral angle between the planes of the aromatic rings is 74.15 (10)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, generatingC(8) andC(4) chains propagating along [100] and [010], respectively, which together generate (001) sheets.

scholarly journals Crystal structure of (E)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol

2015 ◽  
Vol 71 (5) ◽  
pp. o357-o358
Author(s):  
Zhengyi Li ◽  
Song Shi ◽  
Kun Zhou ◽  
Liang Chen ◽  
Xiaoqiang Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Condensation Reaction ◽  
Chair Conformation ◽  
Equatorial Position ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

The title compound, C17H17NO3, prepared by the condensation reaction of 2-(1,3-dioxan-2-yl)aniline and salicylaldehyde, has anEconformation about the C=N bond. The six-membered O-heterocycle adopts a chair conformation, with the bond to the aromatic ring located at its equatorial position. The dihedral angle between the aromatic rings is 36.54 (9)°. There is an intramolecular N—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along thea-axis direction. Within the chains, there are C—H...π interactions involving adjacent molecules.

scholarly journals Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione

2015 ◽  
Vol 71 (8) ◽  
pp. o604-o605 ◽  
Author(s):  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Aissa Chibani ◽  
Zouhair Bouaziz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Centroid Distance ◽  
The Mean

In the title compound, C22H18N2O4, the three fused rings of the pyrazolophthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclohexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost normal to the mean plane of the pyrazolophthalazine moiety, with a dihedral angle of 87.21 (6)° between their planes. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds forming inversion dimers. The dimers are linkedviaC—H...π interactions, forming slabs parallel to (100). Between the slabs there are weak π–π interactions [shortest inter-centroid distance = 3.6664 (9) Å], leading to the formation of a three-dimensional structure.

scholarly journals (4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
A. Benosmane ◽  
D. A. Rouag ◽  
A. Mili ◽  
H. Merazig ◽  
M. A. Benaouida
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The crystal structure of the title compound, C16H13N3O3S, shows that the two independent zwitterions in the asymmetric unit are approximately planar. Intramolecular N—H...O hydrogen bonds occur and the aromatic rings have atransconfiguration with respect to the azo double bond. In the crystal, the molecules are linkedviaN—H...O hydrogen bonds and π–π stacking, forming a three-dimensional supramolecular network, the π–π stacking interactions between adjacent benzene and naphthalene rings having centroid-to-centroid distances of 3.764 (3) and 3.775 (3) Å.

scholarly journals 12α-Hydroxy-3,27-dioxooleanano-28,13-lactone

2012 ◽  
Vol 68 (6) ◽  
pp. o1586-o1586 ◽  
Author(s):  
Jun-yi Hu ◽  
Gang-gang Wu ◽  
Ying-qian Xu ◽  
Guo-yong Xiao ◽  
Peng Lei
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Lactone Ring ◽  
Chair Conformation ◽  
The Other ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C30H44O5. They comprise a triterpenoid skeleton of five six-membered rings and a five-membered lactone ring. The five six-membered rings are all trans-fused. In both independent molecules the D rings adopt a slightly distorted half-chair conformation due the presence of the lactone ring while the other four six-membered rings all adopt chair conformations. The characteristic carbon–carbon double bond of the oleanoic skeleton is absent. Intermolecular O—H...O hydrogen bonds between the hydroxy and carbonyl groups occur in the crystal structure.

scholarly journals Crystal structure of a bioactive sesquiterpene isolated fromArtemisia reticulata

2016 ◽  
Vol 72 (4) ◽  
pp. 460-462
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Silica Gel ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Exocyclic Double Bond ◽  
Compound C ◽  
Cyclopentane Ring

The title compound, C15H24O2{systematic name: 1-[6-hydroxy-7-(propan-2-yl)-4-methylidene-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone} was isolated fromA. reticulataby column chromatography over silica gel by gradient solvent elution. The molecule comprises a bicyclo[4.3.0]nonane ring bearing acetoxy, hydroxy and isopropyl substituents, and an exocyclic double bond on the cyclohexane ring. In the bicyclic skeleton, the cyclohexane ring adopts a chair conformation ring and the cyclopentane ring is in an envelope conformation. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains along [010]. These chains are cross-linked by C—H...O hydrogen bonds.

scholarly journals 1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o687-o688 ◽  
Author(s):  
Augusto Rivera ◽  
Ingrid Miranda-Carvajal ◽  
Héctor Jairo Osorio ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bonds ◽  
Heterocyclic System ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Hydroxyl Group ◽  
Mirror Plane ◽  
Aromatic Rings ◽  
Central Ring ◽  
Compound C ◽  
The Mean

The asymmetric unit of the title compound, C28H42N2O5·H2O, consists of one half of the organic molecule and one half-molecule of water, both of which are located on a mirror plane which passes through the central C atoms and the hydroxyl group of the heterocyclic system. The hydroxyl group at the central ring is disordered over two equally occupied positions. The six-membered ring adopts a chair conformation, and the 2-hydroxybenzyl substituents occupy the sterically preferred equatorial positions. The aromatic rings make dihedral angles of 75.57 (9)° with the mean plane of the heterocyclic ring. The dihedral angle between the two aromatic rings is 19.18 (10)°. The molecular structure features two intramolecular phenolic O—H...N hydrogen bonds with graph-set motifS(6). In the crystal, molecules are connectedviaO—H...O hydrogen bonds into zigzag chains running along thea-axis direction.

scholarly journals Crystal structure of 1-methanesulfonyl-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (1) ◽  
pp. o20-o20 ◽  
Author(s):  
S. Jeyaseelan ◽  
S. L. Nagendra Babu ◽  
G. Venkateshappa ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Compound C

In the title compound, C10H13NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 347.9°. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(8) loops.

scholarly journals Crystal structure of 16-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

2015 ◽  
Vol 71 (7) ◽  
pp. o464-o465 ◽  
Author(s):  
Jun-Jun Ge ◽  
Pian Chen ◽  
Xiao-Xia Ye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Carbonyl Groups ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Supramolecular Chains ◽  
Twist Boat

The title compound, C30H48O2, contains a fused four-ring triterpenoid system. In the molecule, the two cyclohexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclohexene ring adopts a half-chair conformation whereas the five membered ring adopts an envelope conformation. In the crystal, O—H...O hydrogen bonds between the hydroxy and carbonyl groups of adjacent molecules link the molecules into supramolecular chains propagating along theb-axis direction.

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