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KMID : 1059519950390050344
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Journal of the Korean Chemical Society
1995 Volume.39 No. 5 p.344 ~ p.349
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The Crystal and Molecular Structure of (dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, C20H22N2O4S
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Shin Hyun-So
Kim Eui-Sung
Song Hyun
Lee Chai-Ho
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Abstract
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The crystal and molecular structure of the title compound has been determined from 2568 reflections collected on an automatic CAD4 diffractometer using graphite-monochromated Mo-Kα radiation. The crystal is monoclinic system, space group P21 with unit cell dimensions a=8.756(8)Å, b=25.757(2)Å, c=8.628(1)Å, β=99.15(4)°, V= 1,921(2) Å3, Z=4, Dc=1.336 gcm-3, μ=1.54 cm-1 and T=298。K. The final R factor was 0.051 for 2049 reflections over 3σ(Fο). The crystal has two asymmetric molecules in the unit cell. The arrangement of sulfon group was shown a distorted tetrahedron structure and N(6), N(6') atoms were deviated from the least-squares planes of the thiadiazine rings, respectively. The molecular packings in the unit cell are linked by the two intermolecular hydrogen bonds of N-H---O type and van der Waals forces.
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