Structure of $\alpha$,$\beta$-Diphenylsuccinic Acid

$\alpha$,$\beta$-Diphenylsuccinic Acid의 구조

C19H20O5, Mr=314.337, triclinic,PI, a=10.291(2)A, b=11.218(3)A, c=3.059(1)A, α=74.54(2)°, β=1148.84(1)°, r=109.84(2)°, V=883.283(2)A3, λ(Mo Kα)=0.71069A, μ=0.47 mm-1, F(000)=324, 296K, Z=2, Dx=1.18Mgm-3. Final R=0.0580 for 1637[F>3σ(F)]unique refledtions. α,β-diphenylsuccinic acid, C16H14O4, are connedted with the solvent actone by hydrogen bond O(4)-H˙˙˙O(5), forming a dimer related by related by centrosymmentry thorough intermolecualr carboxylic hydrogen bond O(1)-H˙˙˙O(2)(-x,-y,-z). The nearest distance 3.288A[O(2)˙˙˙O(2)(-x,-y,-z)] between the dimers shows that the packing of the dimer is govermed by van der Waals'force.

C19H20O5, Mr=314.337,삼사정계,PI, a=10.291(2)A, b=11.218(3)A, c=3.059(1)A, α=74.54(2)°,β=1148.84(1)°,r=109.84(2)°,V=883.283(2)A3, λ(Mo Kα)=0.71069A, μ=0.47 mm-1, F(000)=324, 296K, Z=2, Dx=1.18Mgm-3. 1637[F>3σ(F)]개 독립 반사면에 대한 최종 R=0.0580이다. α,β-diphenylsuccinic acid,C16H14O4, 분자들은 O(4)-H˙˙˙O(5)수소결합에 의하여 용체인 acetone과 결합되어 있고 중심대칭관계에 있는 dimer는 분자간의 carboxylic 수소결합 O(1)-H˙˙˙O(2)(-x,-y,-z)에 의하여 결합되어 있다. Dimer간의 가장 가까운 거리 3.288A[O(2)˙˙˙O(2)(-x,-y,-z)]은 분자들의 packing이 van der Waals 력으로 이루어졌음을 보인다.