Die Kristall- und Molekülstruktur von 3-Hydroxypyridin, C5H5NO

Die Kristall- und Molekülstruktur von 3-Hydroxypyridin, C5H5NO
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3-羟基吡啶的晶体和分子结构,C5H5NO

DOI:
10.1524/zkri.1983.162.14.299
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发表时间:
1983
期刊:
Zeitschrift für Kristallographie - Crystalline Materials
影响因子:
--
通讯作者:
W. Treutmann
W. Treutmann
中科院分区:
--
文献类型:
--
作者:
U. Ohms;H. Guth;W. Treutmann

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3-羟基吡啶,C5 H5 NO,晶体属单斜晶系,空间群P2 ljc,α = 7.709(3),B = 7.067(3),c = 17.989(6)A,β = 99.5(2)°,δ = 8。通过直接方法从自动衍射仪数据解出结构,并通过最小二乘技术对958个观察到的反射进行精修至R = 0.046(RFW = 0.059)。不对称单元的两个分子在其几何形状方面显示出显著的差异。分子通过短氢键O-H连接成无限长的链。. . N = 2.665。
3-Hydroxypyridine, C 5 H 5 NO, crystallizes in the monoclinic space group P2ljc with α = 7.709(3), b = 7.067(3), c = 17.989(6) Α, β = 99.5(2)° and Ζ = 8. The structure was solved from automated diffractometer data by direct methods and refined by least-squares techniques to R = 0.046 (RFW = 0.059) for 958 observed reflections. The two molecules of the asymmetric unit show significant differences with regard to their geometry. The molecules are connected to infinite chains by short hydrogen bonds Ο — Η . . . Ν of 2.665 Ä.