(1R*,2S*)-2-Nitro-1-(4-nitrophenyl)propanol
نویسندگان
چکیده
The title compound, C(9)H(10)N(2)O(5), presents a racemic mixture of two enanti-omeric diastereomers. In the crystal, mol-ecules assemble into zigzag chains parallel to the b axis [C(6) motif] due to the formation of elongated O-H⋯O(N) hydrogen bonds. Of inter-est is the fact that only the aliphatic nitro group is involved in hydrogen bonding and it adopts a gauche conformation with respect to the OH group.
منابع مشابه
Experimental and theoretical studies of Diels–Alder reaction between methyl (Z)-2-nitro-3-(4-nitrophenyl)-2-propenoate and cyclopentadiene
ABSTRACT The Diels-Alder reaction between methyl (Z)-2-nitro-3-(4-nitrophenyl)-2-propenoate and cyclopentadiene yields a mixture of carbodiene Diels-Alder adducts. B3LYP/6-31G(d) simulations indicate that the conversion of addends into methyl (1R*,2S*,3S*,4R*)-2-nitro-3-(4-nitrophenyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylate occurs via two-stage heterodiene Diels-Alder reaction and (in a second ...
متن کامل3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one
In the title compound, C11H11NO3S2, the S-Csp (2) bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S-CH3 bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d-π inter-actions between the S atoms and the C=C bond. The 1,1-bis-(methyl-sulfan-yl)-3-oxo-propyl-ene fragment and the 4-nitro-phenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 ...
متن کامل(2R,3S)-2-Ammonio-3-hydroxy-3-(4-nitrophenyl)propanoic acid chloride monohydrate
The title compound, C(9)H(11)N(2)O(5) (+)·Cl(-)·H(2)O, was synthesized from (1S,2S)-2-amino-1-(4-nitro-phen-yl)propane-1,3-diol in four steps. As demonstrated by this work, no racemization occurs during this synthetic procedure. The crystal structure displays many inter-molecular hydrogen bonds between the acidic cation, chloride anions and the water mol-ecules, forming a three-dimensional netw...
متن کامل(2S,4R)-2-[(1R)-1-(4-Bromophenyl)-2-nitroethyl]-4-ethylcyclohexanone
The crystal structure of the title compound, C(16)H(20)BrNO(3), contains three chiral centers in the configuration 1R,2S,6R. The cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming chains along the a-axis direction.
متن کاملrac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate
The title mol-ecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enanti-omeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclo-hexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclo-hexene rin...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012