Crystal structures of two therapeutically active 2-imidazolines: naphazoline nitrate and tymazoline hydrochloride monohydrate |
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Authors: | Marek L Główka |
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Institution: | (1) Institute of General and Ecological Chemistry, Technical University of ód , 90-924 ód , Poland |
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Abstract: | Naphazoline·HNO3 (1): C14H15N3O3,M
r
=273.3, crystallizes in the orthorhombic space group Pbca(Z=8) witha=12.028(1),b=14.408(2) andc=15.894(2) Å,V=2754.4 Å3,D
x
=1.318 g cm–3, =0.70 mm–1, (CuK )=1.54178 Å,F(000)=1152. FinalR=0.092 andwR=0.088 for 1348 observed reflections collected on a diffractometer. The structure was solved with direct methods, it shows two distinct positions of the naphthyl group with populations about 0.5, which differ by a 180 rotation. As in other arylmethyl-2-imidazolines, the imidazoline ring is approximately perpendicular to the aromatic ring. The molecules are linked by two hydrogen bonds N(3)-H O (nitrate anion) H-N(1) into infinite chains running along the 21 axis in the 100] direction. Tymazoline·HC1·H2O (2): C14H23ClN2O2,M
r
=286.8, crystallizes in the monoclinic space groupP21/n (Z=4) witha=8.136(1),b=10.015(1),c=18.601(1) Å and, =97.20(1)°,V=1503.7 Å3
D
x
=1.266 g cm–3, =2.27 mm–1, (CuK )=1.54178 Å,F(000)=636. FinalR=0.115 andwR=0.119 for 3073 observed reflections collected on a diffractometer. The structure was solved with direct methods. Unlike other aryloxymethyl-2-imidazolines, the molecule is almost planar with an angle of 12.8(2)° between the two rings. Hydrogen bonding networks consist of N(1)-H O (water) Cl– H-N(3) chains joined by an additional link O(water)-H Cl– between chains running in opposite directions. |
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