Crystal structures of 2-(Δ8,13-bicyclohomofarnezenoyl)-3-amino-1,2,4-triazole and N-(Δ8,13-bicyclohomofarnezenoylamino)- carbazole
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KUCHKOVA, Kaleria; ARICU, Aculina; SECARA, Elena; MELNIC, Elena; KRAVTSOV, Victor. Crystal structures of 2-(Δ8,13-bicyclohomofarnezenoyl)-3-amino-1,2,4-triazole and N-(Δ8,13-bicyclohomofarnezenoylamino)- carbazole. In: Materials Science and Condensed Matter Physics. Editia 7, 16-19 septembrie 2014, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2014, p. 148.
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Materials Science and Condensed Matter Physics
Editia 7, 2014
Conferința "Materials Science and Condensed Matter Physics"
Chișinău, Moldova, 16-19 septembrie 2014

Crystal structures of 2-(Δ8,13-bicyclohomofarnezenoyl)-3-amino-1,2,4-triazole and N-(Δ8,13-bicyclohomofarnezenoylamino)- carbazole


Pag. 148-148

Kuchkova Kaleria1, Aricu Aculina1, Secara Elena1, Melnic Elena2, Kravtsov Victor2
 
1 Institute of Chemistry of the Academy of Sciences of Moldova,
2 Institute of Applied Physics, Academy of Sciences of Moldova
 
Disponibil în IBN: 5 martie 2019


Rezumat

Crystal structures of original homodrimane compounds containing of 1,2,4-triazole (1) and carbazole (2) have been synthesized and studied by X-ray single crystal method. CO N N C NH2 N CH 1 2 CO NH N As a starting material for the synthesis of these compounds was used Δ8,13-bicyclohomofarnezenic acid, which was obtained from commercially available norambreinolide in six steps with an overall yield 60%. The reaction of Δ8,13-bicyclohomofarnezenic acid chloride with 3-amino-1,2,4-triazole and 9-amino-carbazole gave the corresponding amides 1, 2. The newly synthesized compounds 1, 2 are of practical interest, because their considerable antioxidant activity. Compound 1 crystallizes in the monoclinic space group P21, Z=4, Z′ = 2, a = 12.595(2) Å, b = 7.7295(8) Å, c = 21.666(3) Å, β = 100.147(13)°, V=2076.2(4) Å3 and compound 2 in the triclinic space group P1 (No.1), Z = 12, Z′ = 6, a = 10.9223(4) Å, b = 18.8296(9) Å, c = 18.9462(7) Å, α= 70.972(4)°, β = 85.131(3)°, γ = 77.433(4)°, V= 3595.0(3) Å3. In the crystal of 1 two symmetry independent molecules form dimer due to couple of N3-H···N4 2.959(10) and 3.041(10) Å. In symmetry independent molecules of 1 the amide and triazole fragments are about coplanar and corresponding dihedral angle equals 5.68 and 7.66º. Their mutual arrangement is stabilized by intramolecular N-H···O = 2.765(9) and 2.782(9) Å hydrogen bonds, Fig.1. Asymmetric part of unit cell 2 contains six similar molecules, Fig.2. The dihedral angle between planes of amide and carbazole fragments varies from 77.1º to 89.6º. In the crystal molecules are linked in the chain by N1-H···O1 hydrogen bonds with N···O distances in the range 2.880(6)-3.112(6) Å.