Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition relate...Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition related structural, thermal and optical properties were investigated. All the crystals were found to have triclinic structure. From thermal studies of these crystals, stability, melting point and other relevant informations were obtained. Their blue emission, less absorption in entire visible range and band gap predicts these crystals as good candidate for modern optoelectronic devices.展开更多
The title adduct (C18H24N4O12, Mr = 488.41) crystallizes in monoclinic, space group P21/c with a = 4.0514(19), b = 25.193(11), c = 10.751(5) ?, β = 95.070(8)o, V = 1093.0(9) ?3, Z = 4, Dc = 1.484 g/cm3, F(000) = 51...The title adduct (C18H24N4O12, Mr = 488.41) crystallizes in monoclinic, space group P21/c with a = 4.0514(19), b = 25.193(11), c = 10.751(5) ?, β = 95.070(8)o, V = 1093.0(9) ?3, Z = 4, Dc = 1.484 g/cm3, F(000) = 512, μ(MoKα) = 1.26 cm-1, T = 293 K, the final R = 0.0593 and wR = 0.0862 for 956 observed reflections with I > 2σ(I). The compound is a 1:1 adduct of ethanolamine and 5-nitrosalicylic acid. The nitrogen atom of ethanolamine is protonated. In this crystal there exist a number of hydrogen bonds which link the ethanolamine and 5-nitrosalicylic acid molecules to form a three-dimensional infinite network structure.展开更多
The title compound C_6H(15)N_4O_2·BF_4, Mr=262.03,crystallized in orthorhombic belonging to space group P2_12_12_1,a=5.050(2),b=13.619(6),c=16.470(3)A.V=1133(1)A;Z=4 ;Dc=1. 536 gcm-3,F(000)=544,μ=1.462 cm￣(-1)(...The title compound C_6H(15)N_4O_2·BF_4, Mr=262.03,crystallized in orthorhombic belonging to space group P2_12_12_1,a=5.050(2),b=13.619(6),c=16.470(3)A.V=1133(1)A;Z=4 ;Dc=1. 536 gcm-3,F(000)=544,μ=1.462 cm￣(-1)(MoKα).The final R=0.082 and Rw=0. 081 for 673 independent observed reflections with I≥3σ(Ⅰ).The title compound is a 1:1 ionic complex of L-arginine and fluoroborate,and both the amino and guanidyl groups of L-arginine are protonated. There are a lot of hydrogen bonds in this crystal which link the discrete L-arginine and fluoroborate to form a three-dimensional network.展开更多
Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the ...Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the lattice water molecules from which connect the molecules aggregating into a one dimensional screw chain. It seems that the existence of those hydrogen bonds is essential for the molecules crystallized in noncentral space group and exhibiting obviously SHG efficiency.展开更多
文摘Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition related structural, thermal and optical properties were investigated. All the crystals were found to have triclinic structure. From thermal studies of these crystals, stability, melting point and other relevant informations were obtained. Their blue emission, less absorption in entire visible range and band gap predicts these crystals as good candidate for modern optoelectronic devices.
文摘The title adduct (C18H24N4O12, Mr = 488.41) crystallizes in monoclinic, space group P21/c with a = 4.0514(19), b = 25.193(11), c = 10.751(5) ?, β = 95.070(8)o, V = 1093.0(9) ?3, Z = 4, Dc = 1.484 g/cm3, F(000) = 512, μ(MoKα) = 1.26 cm-1, T = 293 K, the final R = 0.0593 and wR = 0.0862 for 956 observed reflections with I > 2σ(I). The compound is a 1:1 adduct of ethanolamine and 5-nitrosalicylic acid. The nitrogen atom of ethanolamine is protonated. In this crystal there exist a number of hydrogen bonds which link the ethanolamine and 5-nitrosalicylic acid molecules to form a three-dimensional infinite network structure.
文摘The title compound C_6H(15)N_4O_2·BF_4, Mr=262.03,crystallized in orthorhombic belonging to space group P2_12_12_1,a=5.050(2),b=13.619(6),c=16.470(3)A.V=1133(1)A;Z=4 ;Dc=1. 536 gcm-3,F(000)=544,μ=1.462 cm￣(-1)(MoKα).The final R=0.082 and Rw=0. 081 for 673 independent observed reflections with I≥3σ(Ⅰ).The title compound is a 1:1 ionic complex of L-arginine and fluoroborate,and both the amino and guanidyl groups of L-arginine are protonated. There are a lot of hydrogen bonds in this crystal which link the discrete L-arginine and fluoroborate to form a three-dimensional network.
文摘Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the lattice water molecules from which connect the molecules aggregating into a one dimensional screw chain. It seems that the existence of those hydrogen bonds is essential for the molecules crystallized in noncentral space group and exhibiting obviously SHG efficiency.
