Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1 H-pyrazol-4-yl)-3-phen-yl-propano-ate [0.03%]
乙基2-氰基-3-(3-羟基-5-甲基-1H-吡唑-4-基)-3-苯基丙烯酸酯的晶体结构，希施菲尔德表面分析，晶体空隙，相互作用能计算和能量框架以及DFT计算
Younesse Ait Elmachkouri,Ezaddine Irrou,Hanae El Monfalouti et al.
Younesse Ait Elmachkouri et al.
The title compound, C16H17N3O3, is racemic as it crystallizes in a centrosymmetric space group (P ), although the trans disposition of substituents about the central C-C bond is established. The five- and six-membered rings are oriented at ...
Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κ N)gold(I) [0.03%]
[1,3-双(2,6-二异丙基苯基)咪唑-2-亚基](异氰酸根合-)金(I)的合成及晶体结构分析
Abolghasem Bakhoda
Abolghasem Bakhoda
The title complex, [Au(NCO)(C27H36N2)], was synthesized by ligand metathesis from [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene]gold(I) chloride and sodium cyanate in anhydrous tetra-hydro-furan and crystallized from toluene at 233...
Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) [0.03%]
晶碱铝硼酸盐A4B4Al3O12Cl(A=Li,Na)的晶体结构
Sho Yoshino,Hidechika Arima,Masanao Ishijima et al.
Sho Yoshino et al.
Single crystals of alkali aluminoboracites, A 4B4Al3O12Cl (A = Li, Na), were grown using the self-flux method, and their isotypic cubic crystal structures were determined by single-crystal X-ray diffraction. Na4B4Al3O12Cl is the first repor...
Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4 H-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone [0.03%]
2-({5-[(萘-1-基)甲基]-4-苯基-4H-1,2,4-三唑-3-基}硫代磺酰)-1-(4-硝基苯基)乙酮的合成、晶体结构及 Hirshfeld 表面分析
Trong Duc Le,Tien Cong Nguyen,Thi Kim Dung Hoang et al.
Trong Duc Le et al.
The title compound, C27H20N4O3S, crystallizes in the monoclinic system, space group P21/n, with Z = 4. The global shape of the mol-ecule is determined by the orientation of the substituents on the central 4H-1,2,4-triazole ring. The nitro-p...
Crystal structure and Hirshfeld surface analysis of (2 E)-1-phenyl-3-(1 H-pyrrol-2-yl)propen-1-one [0.03%]
(2E)-1-苯基-3-(1H-吡咯-2-基)丙烯-1-酮的晶体结构和 Hirshfeld 表面分析
Ayten S Safarova,Ali N Khalilov,Mehmet Akkurt et al.
Ayten S Safarova et al.
The title com-pound, C13H11NO, adopts an E configuration about the C=C double bond. The pyrrole ring is inclined to the phenyl ring at an angle of 44.94 (8)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming ribbons ...
When a dream comes true: birth of the African Crystallographic Association (AfCA) [0.03%]
当梦想成真：非洲晶体学会(AfCA)的成立
Andreas Roodt
Andreas Roodt
This paper summarizes brief perspectives on the historic process of establishing an African Crystallographic Association (AfCA) and includes representative references. It covers activities within four arbitrarily selected, approximate time ...
Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)] [0.03%]
六溴化二铜(II)的多聚化合物的晶体结构：双[2-(吡啶-2-亚乙基氨基)乙醇酸酯]四铜(II)
Bocar Traoré,Ngoné Diouf,Momath Kébé et al.
Bocar Traoré et al.
The reaction of the Schiff base 2-[1-(pyridin-2-yl)ethyl-idene-amino]-ethanol (HL), which is formed by reaction of 2-amino-ethanol and 2-acetyl-pyridine with CuBr2 in ethanol results in the isolation of the new polymeric complex poly[hexa-...
Cadmium phosphates Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallizing in mineral structures [0.03%]
结晶于矿物结构的两种镉磷酸盐Cd2(PO4)OH和Cd5(PO4)2(OH)4
Felix Eder,Matthias Weil
Felix Eder
Single crystals of two basic cadmium phosphates, dicadmium orthophosphate hydroxide, Cd2(PO4)OH, and penta-cadmium bis-(orthophosphate) tetra-kis-(hydroxide), Cd5(PO4)2(OH)4, were obtained under hydro-thermal conditions. Cd2(PO4)OH adopts t...
Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(E)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1 H)-one [0.03%]
晶体结构、Hirshfeld表面分析及1-[(E)-2-(2-氟苯基)亚氨基]-2(1H)-萘酮的能量框架分析
Hibet Errahmane Meroua Akkache,Noudjoud Hamdouni,Ali Boudjada et al.
Hibet Errahmane Meroua Akkache et al.
The title compound, C16H11N2OF, is a member of the azo dye family. The dihedral angle subtended by the benzene ring and the naphthalene ring system measures 18.75 (7)°, indicating that the compound is not perfectly planar. An intra-molecul...
Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one [0.03%]
4-(2-氯乙基)-5-甲基-1,2-二氢吡唑-3-酮的晶体结构和 Hirshfeld 表面分析
Farid N Naghiyev,Victor N Khrustalev,Mehmet Akkurt et al.
Farid N Naghiyev et al.
In the crystal of the title compound, C6H9ClN2O, mol-ecular pairs form dimers with an R 2 2(8) motif through N-H⋯O hydrogen bonds. These dimers are connect into ribbons parallel to the (100) plane with R 4 4(10) motifs by N-H⋯O hydrogen b...