Crystal and molecular structure of C.I. Solvent Yellow 2, 1-phenylazo-4 (N,N-dimethylamine)-phenyl
Crystal and molecular structure of C.I. Solvent Yellow 2, 1-phenylazo-4 (N,N-dimethylamine)-phenyl
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C.I.的晶体和分子结构
DOI：
10.1007/bf01186250
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发表时间：
1992
期刊：
影响因子：
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通讯作者：
A. Whitaker
中科院分区：
文献类型：
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作者：
A. Whitaker
C.I.本文用X-射线单晶衍射技术测定了溶剂黄2（C14 H15 N3）。晶体属正交晶系，晶胞参数a =6.059（2）B=7.398（1），c=27.467（4），空间群P212121，Z=4。用直接法解出了结构，并对三维数据（688次反射，MoKα辐射）进行了最小二乘法处理。氢的位置已被发现，但只有他们的位置参数完善。最终残差0.055（所有阳性强度数据）。该分子以偶氮化合物的形式存在，几乎是平面的。分子堆积在平行于b轴的柱中，在每个柱中，它们堆积在几乎平行于（130）或（130）平面的层中，这取决于柱。这些分子通过货车范德华力连接在一起。
The crystal structure of C.I. Solvent Yellow 2, C14H15N3, has been determined by single crystal X-ray diffraction techniques. It crystallizes in the orthorhombic system witha=6.059(2) Å,b=7.398(1) Å,c=27.467(4) Å, space groupP212121,Z=4. The structure has been solved by direct methods and least-squares has been completed on three dimensional data (688 reflections, MoKα radiation). The hydrogen positions have been found but only their positional parameters refined. Final residual 0.055 (all positive intensity data). The molecule exists as an azo-compound and is almost planar. The molecules are packed in columns parallel to theb axis, within each column they are packed in layers almost parallel to the (130) or (130) plane depending on the column. The molecules are linked by van der Waals' forces.