Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine [0.03%]
六个新型衍生物及2-(1-苯基-1H-1，2，3-三唑-4-基)吡啶的一个多晶型物的结构单元与堆积方式的对比分析
Kinaan M Tawfiq,Gary J Miller,Mohamad J Al-Jeboori et al.
Kinaan M Tawfiq et al.
The crystal structures of a new polymorph and seven new derivatives of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine have been characterized and examined along with three structures from the literature to identify trends in their intermolecula...
Strong positive and negative deviations from Vegard's rule: X-ray powder investigations of the three quasi-binary phase systems BiSX(1 - x)Y(x) (X, Y = Cl, Br, I) [0.03%]
Vegards定律的强正负偏差：BiSX（1-x）Y（x）（X，Y= Cl，Br，I）三个准二元相系统的X射线粉末研究
Peter Schultz,Egbert Keller
Peter Schultz
Three quasi-binary phase systems, BiSX(1 - x)Y(x) (X, Y = Cl, Br, I; 0 < x < 1), have been investigated by X-ray powder diffraction. All three systems show unlimited solubility. For BiSCl(1 - x)Br(x) and BiSCl(1 - x)I(x), strong positive an...
Structure determination of KLaS2, KPrS2, KEuS2, KGdS2, KLuS2, KYS2, RbYS2, NaLaS2 and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series [0.03%]
KLaS2，KPrS2，KEuS2，KGdS2，KLuS2，KYS2，RbYS2和NaLaS2的结构测定及I族和铊卤化物稀土硫化物系列的晶体化学分析
Jan Fábry,Lubomír Havlák,Michal Dušek et al.
Jan Fábry et al.
One of the purposes of this work is to provide a crystallographic review of group 1 and thallium rare-earth ternary sulfides M(+)Ln(3+)S2. We have therefore determined crystal structures of KLaS2, KPrS2, KEuS2, KGdS2, KLuS2, KYS2, RbYS2, wh...
Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions [0.03%]
基于互相关函数的相似性测量无需预先索引即可从粉末数据确定结构
Stefan Habermehl,Philipp Mörschel,Pierre Eisenbrandt et al.
Stefan Habermehl et al.
A method to refine organic crystal structures from powder diffraction data with incorrect lattice parameters has been developed. The method is based on the similarity measure developed by de Gelder et al. [J. Comput. Chem. (2001), 22, 273-2...
Structure determination of three polymorphs of xylazine from laboratory powder diffraction data [0.03%]
基于实验室粉末衍射数据的三种盐酸 xylocard 晶型结构确定研究
Alvis Zvirgzdins,Anatolijs Mishnev,Andris Actins
Alvis Zvirgzdins
The crystal structures of three xylazine hydrochloride [N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiaz-2-amine hydrochloride] polymorphs A, Z and X have been solved from powder diffraction data and refined using Rietveld refinement. Data w...
Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study [0.03%]
异烟肼电子密度和静电学性质的拓扑分析：实验与理论研究
Gnanasekaran Rajalakshmi,Venkatesha R Hathwar,Poomani Kumaradhas
Gnanasekaran Rajalakshmi
Isoniazid (isonicotinohydrazide) is an important first-line antitubercular drug that targets the InhA enzyme which synthesizes the critical component of the mycobacterial cell wall. An experimental charge-density analysis of isoniazid has b...
The quasiperiodic average structure of highly disordered decagonal Zn-Mg-Dy and its temperature dependence [0.03%]
高度无序的十次方Zn-Mg-Dy合金的拟周期平均结构及其温度依赖性
Taylan Ors,Hiroyuki Takakura,Eiji Abe et al.
Taylan Ors et al.
A single-crystal X-ray diffraction structure analysis of decagonal Zn-Mg-Dy, a Frank-Kasper-type quasicrystal, was performed using the higher-dimensional approach. For this first Frank-Kasper (F-K) decagonal quasicrystal studied so far, sig...
Pawel Kuczera,Janusz Wolny,Walter Steurer
Pawel Kuczera
The structure of decagonal Al-Cu-Rh has been studied as a function of temperature by in-situ single-crystal X-ray diffraction in order to contribute to the discussion on energy or entropy stabilization of quasicrystals. The experiments were...
Explanation of the stacking disorder in the β-phase of Pigment Red 170 [0.03%]
Pigment Red 170颜料β相堆积无序性解释
Jaroslav L Teteruk,Jürgen Glinnemann,Tatiana E Gorelik et al.
Jaroslav L Teteruk et al.
The β-phase of Pigment Red 170, C26H22N4O4, which is used industrially for the colouration of plastics, crystallizes in a layer structure with stacking disorder. The disorder is characterized by a lateral translational shift between the la...
Average structures of the disordered β-phase of Pigment Red 170: a single-crystal X-ray diffraction study [0.03%]
关于Pigment Red 170无序β型的平均结构：单晶X射线衍射研究
Rangana Warshamanage,Anthony Linden,Martin U Schmidt et al.
Rangana Warshamanage et al.
The β-phase of the industrially important Pigment Red 170 (β-P.R. 170) has a structure with severe layer stacking disorder. The single-crystal X-ray diffraction pattern consists of a difficult-to-disentangle mix of Bragg diffraction super...