8 research outputs found
1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl)ethanone
The six-membered oxacyclohexene ring of the title compound, C13H14N2O2S, is fused with the benzene ring and the quarternary C atom lies above the plane of the benzene ring by 0.229 (8) Å, whereas the methine C atom (which bears the acetyl substituent) lies below this plane by 0.595 (8) Å. The oxacyclohexene ring is also fused with the sofa-shaped 2,6-diazacyclohexanone ring. The methine C atom that belongs to both six-membered rings lies above the mean plane of the other five atoms (r.m.s. deviation = 0.077 Å) by 0.759 (5) Å. In the crystal, N—H⋯S hydrogen bonds link adjacent molecules into a linear chain
Synthesis and bioactivity of new analogue of Bicyclic 1-Azafagomine
New (S)-(1,2,3,6-tetrahydropyridazin-3-yl)methanol was synthesized by Lewis acid catalyzed and self-assembled Diels-Alder (LACASA-DA) cycloaddition reaction using (S)-BINOL as a chiral inductor. The N-2 pyridazine position was protected, the hydroxyl group was carbonylated to form the new bicyclic structure. The protective group was removed and the double bond was dihydroxylated leading to the target compound. Removal of the protective group was performed using a newly found ecofriendly catalyst for N-Boc deprotection. The final iminosugar derivative 7 and all newly synthesized intermediates, were investigated against S. aureus and E. coli bacteria and were found to show promising activity against both gram-positive and gram-negative bacteria.- (undefined
1-(2-Oxo-3,4-dihydro-2H-1,3-benzoxazin-4-yl)urea monohydrate
The organic molecule in the title hydrate, C9H9N3O3·H2O, was obtained by the condenstation of salicylic aldehyde with urea in acetonitrile. The oxazine ring adopts a slightly distorted sofa conformation, with the N atom deviating from the plane passing through the other atoms of the ring by 0.267 (2) Å. The crystal structure displays intermolecular N—H⋯O and O—H⋯O hydrogen bonding
Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
In the title compound, C21H25NO3, the hydropyridine ring that constitutes a part of the hexahydroquinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (3) Å. The phenyl ring is aligned at 85.5 (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N—H...O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609 (6):0.391 (6) ratio
9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
The cyclohexene ring that constitutes a part of the tetrahydroxanthene fused-ring system of the title compound, C23H26O4, adopts a flattened half-chair conformation that approximates an envelope conformation (in which the methylene C atom bearing the two methyl substituents represents the flap) as five of the six atoms lie approximately on a plane (r.m.s. deviation = 0.020 Å). The mean plane of the cyclohexene ring with the hydroxy substituent is approximately perpendicular to the mean plane of the tetrahydroxanthene system. In the crystal, adjacent molecules are linked by O—H...Ocarbonyl hydrogen bonds into a chain running along the b axis
Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N—H...O interactions, forming chains parallel to [101]. There are no significant C—H...π or π–π interactions in the crystal structure