Substitution effect on crystal packings of iodobenzonitriles and iodophenols

Merz K

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Substitution effect on crystal packings of iodobenzonitriles and iodophenols

机译：取代对碘苄腈和碘酚晶体堆积的影响

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The influence of iodine on the crystal packing of iodo-substituted benzonitriles (2-4) and phenols (5-7) was studied. To analyze the substituent effect, the series was completed, and the crystal structures of iodobenzene ( 1), m-iodobenzonitrile ( 3), m-iodophenol ( 6), and p-iodophenol ( 7) were determined. Ab initio density functional calculation methods were used to examine the energetic situation and dipole moments of the single molecules in all species.

机译：研究了碘对碘取代苯甲腈（2-4）和酚（5-7）晶体堆积的影响。为了分析取代基的作用，完成了一系列反应，并确定了碘苯（1），间碘苄腈（3），间碘苯酚（6）和对碘苯酚（7）的晶体结构。从头算密度函数计算方法用于检查所有物种中单分子的能量状态和偶极矩。

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《Crystal growth & design》 |2006年第7期|共5页
作者
Merz K;
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正文语种 eng
中图分类晶体学;
关键词
SUPRAMOLECULAR CHEMISTRY; HALOGEN INTERACTIONS; MOLECULAR-STRUCTURE; GASEOUS STATE; HIGH-PRESSURE; IODOBENZENE; IODONITROBENZENE;

机译：超分子化学;卤代相互作用;分子结构;气态;高压;碘代苯;碘代苯;

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1. Substitution effect on crystal packings of iodobenzonitriles and iodophenols [J] . Merz K Crystal growth & design . 2006,第7期

机译：取代对碘苄腈和碘酚晶体堆积的影响
2. Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames [J] . Carlos E. Godinez, Gerardo Zepeda, Christopher J. Mortko, The Journal of Organic Chemistry . 2004,第5期

机译：具有移动部件的分子晶体：具有甲基取代的三苯甲基框架的分子陀螺仪的合成，表征和晶体包装
3. X-Ray crystallographic studies of three substituted indium(III) phthalocyanines:effect of ring substitution and the axial ligand on molecular geometry and packing [J] . Aurelien Auger, Paul M.Burnham, Isabelle Chambrier Journal of Materials Chemistry: An Interdisciplinary Journal dealing with Synthesis, Structures, Properties and Applications of Materials, Particulary Those Associated with Advanced Technology . 2005,第1期

机译：三种取代铟（III）酞菁的X射线晶体学研究：环取代和轴向配体对分子几何形状和堆积的影响
4. Crystal design for organic semicondutors: The effects of substitution on crystal packing [C] . John E. Anthony, Balaji Purushothaman Organic Field-Effect Transistors VI; Proceedings of SPIE-The International Society for Optical Engineering; vol.6658 . 2007

机译：有机半导体的晶体设计：替代对晶体堆积的影响
5. The chemical implication of charge density distribution for heterocyclic rings, and the conformational consequences of the packing in XPh(4) (X = carbon, silicon, germanium, tin, lead) and related crystals. Crystallography and molecular modelling [D] . Borecka, Bozena 1992

机译：杂环的电荷密度分布的化学含义，以及XPh（4）（X =碳，硅，锗，锡，铅）和相关晶体中堆积的构象后果。晶体学和分子建模
6. Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al6Pd [O] . Linus Pauling 1989

机译：金属间化合物的二十面体和十面体准晶体是立方或正交晶体的多个孪晶由立方密堆积或体心堆积中具有二十面体点群对称的非常大的原子络合物组成：十方Al6Pd结构
7. Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames [O] . -1

机译：具有运动部件的分子晶体：用甲基取代的三乙基框架的分子陀螺的合成，表征和晶体包装
8. Topological Close Packing in Structurally Complex Intermetallics (Crystalline, Quasicrystalline and Noncrystalline) [R] . Ranganathan, S. 2006

机译：结构复杂金属间化合物（晶体，准晶体和非晶体）中的拓扑密堆积

Substitution effect on crystal packings of iodobenzonitriles and iodophenols

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