TY - JOUR
T1 - Molecular and crystal structure of polyclic chainlike compounds - Oxazole and 1,3,4-oxadiazole derivatives
T2 - I. Symmetric 2,5-diphenyl-, 2,5-di-2-furyl-, and 2,5-di-2-thienyl-1-3-4-oxidiazoles
AU - Kuznetsov, V. P.
AU - Patsenker, L. D.
AU - Lokshin, A. I.
AU - Tolmachev, A. V.
PY - 1998/5
Y1 - 1998/5
N2 - The X-ray crystal structures of 2,5-diphenyl-(I), 2,5-di-2-furyl-(II), and 2,5-di-2-thienyl-(III) 1,3,4-oxadiazoles were determined. Crystals I-III are monoclinic. Compound I: a = 5.203(2), b = 18.143(6), and c = 12.184(4) Å; β = 93.24(3)°; V= 1148.3(7) Å3; Z = 4 (C14H10N2O); dcalc = 1.285 g/cm3; sp. gr. P21/c. Compound II: a = 5.789(2), b = 10.630(4), and c = 14.911(5) Å; β = 96.44(2)°; V = 911.9(5) Å3; Z = 4 (C10H6N2O3); dcalc = 1.473 g/cm3; sp. gr. P21/n. Compound III: a = 18.734(7), b = 12.802(3), and c = 8.973(3) Å; β = 101.88(3)°; V = 2105.9(11) Å3; Z = 8 (C10H6N2OS2); dcalc = 1.478 g/cm3; sp. gr. P21/c. The angles between the planes of the rings are no larger than 10°. Molecular deformations observed in I-III are due to intermolecular interactions. In crystal, molecules II and III adopt conformations with relative s-trans orientations of the double bonds of adjacent heterocycles.
AB - The X-ray crystal structures of 2,5-diphenyl-(I), 2,5-di-2-furyl-(II), and 2,5-di-2-thienyl-(III) 1,3,4-oxadiazoles were determined. Crystals I-III are monoclinic. Compound I: a = 5.203(2), b = 18.143(6), and c = 12.184(4) Å; β = 93.24(3)°; V= 1148.3(7) Å3; Z = 4 (C14H10N2O); dcalc = 1.285 g/cm3; sp. gr. P21/c. Compound II: a = 5.789(2), b = 10.630(4), and c = 14.911(5) Å; β = 96.44(2)°; V = 911.9(5) Å3; Z = 4 (C10H6N2O3); dcalc = 1.473 g/cm3; sp. gr. P21/n. Compound III: a = 18.734(7), b = 12.802(3), and c = 8.973(3) Å; β = 101.88(3)°; V = 2105.9(11) Å3; Z = 8 (C10H6N2OS2); dcalc = 1.478 g/cm3; sp. gr. P21/c. The angles between the planes of the rings are no larger than 10°. Molecular deformations observed in I-III are due to intermolecular interactions. In crystal, molecules II and III adopt conformations with relative s-trans orientations of the double bonds of adjacent heterocycles.
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AN - SCOPUS:0032397795
SN - 1063-7745
VL - 43
SP - 430
EP - 438
JO - Crystallography Reports
JF - Crystallography Reports
IS - 3
ER -