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醛糖还原酶抑制剂的结构研究。十种恶唑氨基甲酸酯衍生物。

Structural study of aldose reductase inhibitors. Ten oxazolecarbamate derivatives.

作者信息

Ishida T, In Y, Tanaka C, Inoue M

机构信息

Osaka University of Pharmaceutical Sciences, Japan.

出版信息

Acta Crystallogr B. 1991 Oct 1;47 ( Pt 5):806-13. doi: 10.1107/s0108768191005554.

Abstract

(1) Benzyl 4-isopropyl-5-phenyl-2-oxazolecarbamate, C20H20N2O3, Mr = 336.39, P1, a = 19.469 (7), b = 11.270 (3), c = 8.667 (3) A, alpha = 95.48 (3), beta = 99.61 (3), gamma = 104.96 (3) degrees, V = 1792 (1) A3, Z = 4, Dm = 1.266 (2), Dx = 1.247 g cm-3, lambda (Cu K alpha) = 1.5418 A, mu = 6.49 cm-1, F(000) = 712, T = 288 K, R = 0.048 for 5244 reflections. (2) Benzyl 4-ethyl-5-phenyl-2-oxazolecarbamate, C19H18N2O3, Mr = 322.37, P2(1)/n, a = 9.131 (7), b = 18.81 (1), c = 9.680 (8) A, beta = 101.07 (3) degrees, V = 1631 (2) A3, Z = 4, Dm = 1.310 (2), Dx = 1.313 g cm-3, lambda (Cu K alpha) = 1.5418 A, mu = 6.92 cm-1, F(000) = 680, T = 288 K, R = 0.063 for 2535 reflections. (3) Benzyl 4-methyl-5-phenyl-2-oxazolecarbamate, C18H16N2O3, Mr = 308.34, P2(1)/n, a = 9.210 (7), b = 8.785 (6), c = 19.800 (9) A, beta = 99.60 (3) degrees, V = 1580 (2) A3, Z = 4, Dm = 1.299 (3), Dx = 1.300 g cm-3, lambda (Cu K alpha) = 1.5418 A, mu = 6.93 cm-1, F(000) = 648, T = 288 K, R = 0.057 for 2190 reflections.(ABSTRACT TRUNCATED AT 250 WORDS)

摘要

(1) 苄基4-异丙基-5-苯基-2-恶唑氨基甲酸酯,C20H20N2O3,Mr = 336.39,P1空间群,a = 19.469(7),b = 11.270(3),c = 8.667(3)埃,α = 95.48(3),β = 99.61(3),γ = 104.96(3)°,V = 1792(1)埃³,Z = 4,Dm = 1.266(2),Dx = 1.247克/厘米³,λ(Cu Kα) = 1.5418埃,μ = 6.49厘米⁻¹,F(000) = 712,T = 288 K,对5244个反射的R = 0.048。(2) 苄基4-乙基-5-苯基-2-恶唑氨基甲酸酯,C19H18N2O3,Mr = 322.37,P2(1)/n空间群,a = 9.131(7),b = 18.81(1),c = 9.680(8)埃,β = 101.07(3)°,V = 1631(2)埃³,Z = 4,Dm = 1.310(2),Dx = 1.313克/厘米³,λ(Cu Kα) = 1.5418埃,μ = 6.92厘米⁻¹,F(000) = 680,T = 288 K,对2535个反射的R = 0.063。(3) 苄基4-甲基-5-苯基-2-恶唑氨基甲酸酯,C18H16N2O3,Mr = 308.34,P2(1)/n空间群,a = 9.210(7),b = 8.785(6),c = 19.800(9)埃,β = 99.60(3)°,V = 1580(2)埃³,Z = 4,Dm = 1.299(3),Dx = 1.300克/厘米³,λ(Cu Kα) = 1.5418埃,μ = 6.93厘米⁻¹,F(000) = 648,T = 288 K,对2190个反射的R = 0.057。(摘要截短于250字)

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