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首页> 外文期刊>X-ray Structure Analysis Online >Crystal Structure of 4,6-Bis{5-amino-3-tert-butyl-4-[(3-methyl-1,2,4-thiazol-5-yl)diazenyl]-1H-pyrazol-1-yl}-1,3,5-triazin-2(1H)-one of the trans form
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Crystal Structure of 4,6-Bis{5-amino-3-tert-butyl-4-[(3-methyl-1,2,4-thiazol-5-yl)diazenyl]-1H-pyrazol-1-yl}-1,3,5-triazin-2(1H)-one of the trans form

机译:4,6-双{5-氨基-3-叔丁基-4-[(3-甲基-1,2,4-噻唑-5-基)二氮烯基] -1H-吡唑-1-基}的晶体结构-1,3,5-triazin-2(1H)-一种反式

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摘要

The title compound is a novel yellow pyrazolyl azo pigment used in imaging industries. This compound crystallizes in a triclinic system, as characterized by the following crystallographic parameters: P1, a = 6.7561(12), b = 14.054(2), c = 16.203(3)Å, α = 83.924(6), β = 83.276(7), γ = 79.140(7)°, Z = 2, V = 1495.0(4)Å3. The structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.1373 and wR2 = 0.3346.
机译:标题化合物是用于成像工业的新型黄色吡唑基偶氮颜料。该化合物在三斜晶系中结晶,其特征在于以下晶体学参数: P 1, a = 6.7561(12), b = 14.054 (2), c = 16.203(3)Å,α = 83.924(6),β = 83.276(7), γ = 79.140(7)°, Z = 2, V = 1495.0(4)Å 3 。通过直接方法解析结构,并通过 F 2 上的全矩阵最小二乘法将其精炼为最终值 R 1 = 0.1373和< i> wR 2 = 0.3346。

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