Dibasic 3,3'-di-nitro-4,4'-bipyrazole-1,1'-diides of K, Rb and Cs reveal metal-selective ring-π over ring-N coordination [0.03%]
K、Rb和Cs的二元3,3'-偶氮四唑-1,1'-二酸酯显示金属选择性环-π超过环-N配位
Kostiantyn V Domasevitch,Vira V Ponomarova
Kostiantyn V Domasevitch
Three new alkali metal pyrazolate salts, namely, poly[[μ-3,3'-di-nitro-4,4'-bipyrazole-1,1'-diido]dipotassium], [K2(C6H2N6O4)] n , (1), its rubidium analogue [Rb2(C6H2N6O4)] n , (2), and poly[[[μ-3,3'-di-nitro-4,4'-bipyrazole-1,1'-diido]d...
Crystal structure of sunvozertinib, C29H35ClFN7O3, from synchrotron X-ray powder data and DFT optimization [0.03%]
基于同步辐射X射线粉末衍射数据和DFT优化的sunvozertinib(C29H35ClFN7O3)晶体结构
Jacob K Salazar,James A Kaduk,Anja Dosen et al.
Jacob K Salazar et al.
The crystal structure of sunvozertinib (systematic name: N-[5-({4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl}amino)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide), C29H35ClFN7O3, has been so...
Crystal structure and Hirshfeld surface analysis of saflufenacil [0.03%]
safurenacil的晶体结构和Hirshfeld面分析
Jiyong Liu
Jiyong Liu
The crystal structure of saflufenacil or 2-chloro-4-fluoro-N-(N-isopropyl-N-methyl-sulfamo-yl)-5-[3-methyl-2,6-dioxo-4-(tri-fluoro-meth-yl)-1,2,3,6-tetra-hydro-pyrimidin-1-yl]benzamide, C17H17ClF4N4O5S, has been determined by single-crystal...
Jacob K Salazar,James A Kaduk,Anja Dosen et al.
Jacob K Salazar et al.
The crystal structure of levosimendan Form I [systematic name: 2-({4-[(4R)-4-methyl-6-oxo-4,5-di-hydro-1H-pyridazin-3-yl]phen-yl}hydrazinyl-idene)propanedi-nitrile], C14H12N6O, has been solved and refined using synchrotron X-ray powder diff...
Synthesis and crystal structure of di-μ-chlorido-bis-[bis(2,6-di-methyl-pyrazine)-copper(I)] and di-μ-bromido-bis[bis(2,6-di-methyl-pyrazine)copper(I)] [0.03%]
二氯化双-[双(2,6-二甲基吡嗪)铜(I)]和二溴化双[双(2,6-二甲基吡嗪)铜(I)]的合成与晶体结构分析
Christian Näther
Christian Näther
Crystals of [Cu2Cl2(C6H8N2)4] (1) and of [Cu2Br2(C6H8N2)4] (2), C6H8N2 = 2,6-di-methyl-pyrazine, were obtained from the reaction of CuCl or CuBr with 2,6-di-methyl-pyrazine in aceto-nitrile under solvothermal conditions. Both compounds are ...
Synthesis and crystal structure analysis of (3a RS,6 RS,7a RS)- N-(4-bromo-phen-yl)-1,6,7,7a-tetra-hydro-3a,6-ep-oxy-iso-indole-2(3 H)-carboseleno-amide [0.03%]
(3aRS,6RS,7aRS)-N-(4-溴苯基)-1,6,7,7a-四氢-3a,6-环氧异吲哚-2(3H)-卡博硒酰胺的合成与晶体结构分析
Dimitrii M Shchevnikov,Atash V Gurbanov,Victor N Khrustalev et al.
Dimitrii M Shchevnikov et al.
The asymmetric unit of the title compound, C15H15BrN2OSe, contains two crystallographically independent mol-ecules in which the cyclo-hexene and pyrrole rings are in boat and envelope conformations, respectively. In the crystal, C-H⋯O and ...
[Tpy2Co][Co(CO)4]: a mixed-valent cobalt(III)/cobalt(-I) com-plex based on phenyl-tris-(pyridin-2-yl)borate (Tpy-) [0.03%]
[TPY2Co][Co（CO）4]：基于苯三吡啶硼酸酯（Tpy-）的混合价态钴(III)/钴(I)配合物
Oshani Wijesinghe,Robert Joseph Comito
Oshani Wijesinghe
Tris(pyridin-2-yl)borates are an emerging class of scorpionate ligands. Distinguished by their robustness and nucleophilicity, they have promise as alternatives to tris-(pyrazol-yl)borates in coordination chemistry, materials ap-plications,...
Crystal structure and Hirshfeld surface analyses, inter-action energy calculations and energy frameworks of (Z)-4-benzyl-2-(4-methyl-benzylidene)-2 H-[1,4]benzo-thia-zin-3(4 H)-one [0.03%]
(Z)-4-苯甲基-2-(4-甲基苯基亚甲基)-2H-[1,4]苯并噻嗪-3(4H)-酮的晶体结构、Hirshfeld面分析、相互作用能量计算和能量框架研究
Brahim Hni,Noureddine Hamou Ahabchane,Daouda Ballo et al.
Brahim Hni et al.
The thia-zine ring in the title mol-ecule, C23H19NOS, exhibits a screw-boat conformation and is significantly folded along the S⋯N axis. In the extended structure, aided by C-H⋯π(ring) inter-actions, the mol-ecules pack in wave-like laye...
Jacob K Salazar,James A Kaduk,Anja Dosen et al.
Jacob K Salazar et al.
The crystal structure of midodrine hydro-chloride Form A (systematic name: {[2-(2,5-di-meth-oxy-phen-yl)-2-hy-droxy-eth-yl]carbamo-yl}methanaminium chloride, C12H19N2O4 +·Cl-) has been solved and refined using synchrotron X-ray powder diff...
Crystal structure and Hirshfeld surface analysis of 5-bromo-1,3,4-thia-diazol-2-amine [0.03%]
5-溴-1,3,4-噻二唑-2-胺的晶体结构和Hirshfeld面分析
Batirbay Torambetov,Miyribek Djiemuratov,Abdusamat Rasulov et al.
Batirbay Torambetov et al.
In the crystal of the title compound, C2H2BrN3S, N-H⋯N hydrogen bonds connect the mol-ecules in the form of hydrogen-bonded double-layered ribbons along the c-axis direction including R 2 2(8) and R 2 1(3) motifs, which extend to double la...