scholarly journals Crystal structure of 6-azido-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranose

2020 ◽  
Vol 76 (10) ◽  
pp. 1653-1656
Author(s):  
Adam Wood ◽  
Paul V. Bernhardt ◽  
Ian van Altena ◽  
Michela I. Simone
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Biological Activities ◽  
Membered Ring ◽  
Protecting Groups ◽  
Hydroxyl Groups ◽  
Synthetic Strategy ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Cross Links

Short syntheses to high Fsp 3 index natural-product analogues such as iminosugars are of paramount importance in the investigation of their biological activities and reducing the use of protecting groups is an advantageous synthetic strategy. An isopropylidene group was employed towards the synthesis of seven-membered ring iminosugars and the title compound, C9H15N3O5, was crystallized as an intermediate, in which the THF ring is twisted and the dioxolane ring adopts an envelope conformation: the dihedral angle between the rings is 67.50 (13)°. In the crystal, the hydroxyl groups participate in O—H...(O,O) and O—H...N hydrogen-bonding interactions, which generate chains of molecules propagating parallel to the a-axis direction. There is a notable non-classical C—H...O hydrogen bond, which cross-links the [100] chains into (001) sheets.

scholarly journals Crystal structure of (1S,2R,4R,9S,11S,12R)-9α-hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

2015 ◽  
Vol 71 (2) ◽  
pp. o140-o141
Author(s):  
Ahmed Benharref ◽  
Mohamed Akssira ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Moha Berraho
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Chair Conformation ◽  
Chloroform Extract ◽  
Ring System ◽  
Membered Ring ◽  
Epoxy Ring ◽  
Aerial Parts ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C19H29NO4S, was synthesised from 9α-hydroxyparthenolide (9α-hydroxy-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one), which was isolated from the chloroform extract of the aerial parts of the plantAnvillea radiata. The molecule is built up from two fused five- and ten-membered rings, with an additional epoxy ring system and a thiomorpholine group as a substituent. The ten-membered ring adopts an approximate chair–chair conformation, while the thiomorpholine ring displays a chair conformation and the five-membered ring has an envelope conformation, with the C atom closest to the hydroxy group forming the flap. An intramolecular O—H...N hydrogen bond closes anS(8) ring. The crystal structure features weak C—H...O hydrogen-bonding interactions, which link the molecules into [010] chains.

scholarly journals Unexpected synthesis and crystal structure of N-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-N-ethenyl-4-methylbenzenesulfonamide

2020 ◽  
Vol 76 (12) ◽  
pp. 1851-1853
Author(s):  
Ayalew W. Temesgen ◽  
Minh Duc Luong ◽  
Hong Hieu Truong ◽  
Van Tuyen Nguyen ◽  
Thi Tuyet Anh Dang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Biological Activities ◽  
Alkaline Treatment ◽  
Membered Ring ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
Theoretical Predictions ◽  
Acetyl Group

The title compound, C21H23NO4S, obtained by alkaline treatment of 1,5-bis(1-phenoxy)-3-azapentane at moderate heating, is a N-tosylated secondary vinylamine. An intramolecular S=O...H—C hydrogen bond generates a 13-membered ring. The benzalacetone moiety adopts a trans conformation with respect to the C=C double bond, which is slightly longer than usual due to the conjugation with a neighbouring acetyl group. Theoretical predictions of potential biological activities were performed, suggesting that the title compound can inhibit gluconate 2-dehydrogenase (85% probability), as well as to act as a mucomembranous protector (73%).

1-(4-Chlorophenyl)-4-(2-furoyl)-3-(2-furyl)-1H-pyrazol-5-ol

2007 ◽  
Vol 63 (3) ◽  
pp. o1289-o1290 ◽  
Author(s):  
Jin-Zhou Li ◽  
Heng-Qiang Zhang ◽  
Hong-Xin Li ◽  
Pi-Zhi Che ◽  
Tian-Chi Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Groups ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Graph Set

The crystal structure of the title compound, C18H11ClN2O4, contains intra- and intermolecular hydrogen bonds that link the ketone and hydroxyl groups. The intermolecular hydrogen bond results in the formation of a dimer with an R 2 2(12) graph-set motif.

scholarly journals Crystal structure of ethyl (4R)-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o519-o520
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Membered Ring ◽  
Two Dimensional ◽  
Crystal Stability ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17NO4, the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the molecule is determined in part by an intramolecular N—H...O hydrogen bond between the amino H atom and the carbonyl O atom, forming anS(6) motif. In the crystal, molecules are linked into N—H...O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100)viaO—H...O hydrogen bonds. C—H...O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio.

scholarly journals (2-Hydroxyphenyl)(4,2′:4′,4′′-terpyridin-6′-yl)methanone

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
S. Devika ◽  
Noor Shahina Begum ◽  
Kiran B. Manjappa ◽  
Ding-Yah Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Central Ring ◽  
Pyridine Ligands ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
The Mean

The title compound, C22H15N3O2, can be described as a ketone with a phenol substituent and a terpyridine ligand coordinated to the carbonyl group. The three six-membered rings of the terpyridine ligand are not coplanar. The dihedral angles between the mean planes of the central ring and the external pyridine ligands are 22.77 (9) and 26.77 (7)°. The central ring of the terpyridine ligand is also not coplanar with the o-hydroxy phenyl ring, the dihedral angle being 39.72 (5)°. An intramolecular O—H...O hydrogen bond occurs. The crystal structure of the title compound is consolidated by C—H...O and C—H...N hydrogen bonding interactions.

scholarly journals Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o366-o367
Author(s):  
Mohamed Bakhouch ◽  
Abdelali Kerbal ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Membered Ring ◽  
Carboxylate Group ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The molecule of the title compound, C21H19NO4S, features a fused ring system whereby a five-membered ring is flanked by two six-membered rings. This is linked to an ethyl 3-carboxylate group and to a methoxybenzene group. The fused-ring system is quasi-planar, with the greatest deviation from the mean plane being 0.131 (1) Å for the methine C atom. The plane through the methoxybenzene ring is nearly perpendicular to that through the fused-ring system, as indicated by the dihedral angle of 85.72 (6)°. An intramolecular N—H...O hydrogen bond is noted. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming layers that stack along theaaxis.

scholarly journals Crystal structure of (E)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (4) ◽  
pp. 385-387
Author(s):  
Yousef Hijji ◽  
Belygona Barare ◽  
Gilbert Wairia ◽  
Ray J. Butcher ◽  
Jan Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Ring Motif ◽  
Base Moiety

The title compound, C15H12N2O2S, crystallizes in the orthorhombic space groupPna21, with two molecules in the asymmetric unit (Z′ = 2). Each molecule consists of a 2-hydroxy Schiff base moiety linked through a spacer to a 2-aminobenzothiazole moiety. Each molecule contains an intramolecular hydrogen bond between the –OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C—H...O hydrogen bonds, forming dimers with anR22(20) ring motif. These dimers are further lined into sheets in theabplane by weak intermolecular C—H...N interactions. The structure was refined as an inversion twin

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

scholarly journals Crystal structure of 4-{[(cyanoimino)(methylsulfanyl)methyl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2015 ◽  
Vol 71 (1) ◽  
pp. 104-106
Author(s):  
Galal H. Elgemeie ◽  
Mamdouh Abouzeid ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solid State ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Classical Hydrogen Bond

In the title compound, C14H15N5OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N—H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C—H...O interactions.

scholarly journals threo-2-(2,6-Dimethoxyphenoxy)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diol

2009 ◽  
Vol 65 (6) ◽  
pp. o1389-o1390 ◽  
Author(s):  
Kentaro Ishizuka ◽  
Daisuke Ando ◽  
Takashi Watanabe ◽  
Masaharu Nakamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Model Compound ◽  
Hydroxyl Groups ◽  
Asymmetric Unit ◽  
Lignin Model Compound ◽  
Compound C ◽  
Lignin Model

In the crystal structure of the title compound, C20H26O7, a lignin model compound, the asymmetric unit contains two molecules which adopt almost identical overall conformations with some deviation in the region of the terminal hydroxyl groups. The two molecules are linked by an intermolecular O—H...O hydrogen bond. They also develop intramolecular O—H...O hydrogen bonds.

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