Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine N-oxide-κ O)cobalt(II) [0.03%]
二溴双(2-甲基吡啶-N-氧合物-N-)钴(II)的合成、晶体结构和热性质
Christian Näther,Inke Jess
Christian Näther
Reaction of CoBr2 with 2-methyl-pyridine N-oxide in n-butanol leads to the formation of the title compound, [CoBr2(C6H7NO)2] or [CoBr2(2-methyl-pyridine N-oxide)2]. Its asymmetric unit consists of one CoII cation as well as two bromide anio...
Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1 H-1,2,4-triazole-3,5-di-yl)dibenzoate [0.03%]
基于4,4'-（1H-1,2,4-三唑-3,5-二基）双苯酯的二镉(II)配位聚合物的合成及晶体结构分析
Anastasiia M Popovych,Liudmyla V Tsymbal,Dmytro M Khomenko et al.
Anastasiia M Popovych et al.
The asymmetric unit of the title compound, catena-poly[[[aqua-bis-(pyridine-κN)cadmium(II)]-μ2-4,4'-(1H-1,2,4-triazole-3,5-di-yl)dibenzoato-κ4 O,O':O'',O'''] 4.5-hydrate], {[Cd(C16H9N3O4)(C5H5N)2(H2O)]·4.5H2O}n or {[Cd(bct)(py)2(H2O)]·...
Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid N, N-di-methylformamide monosolvate [0.03%]
(E)-2-[2-(2-氨基-1-氰基-2-氧乙亚基)肼基]苯甲酸N，N-二甲基甲酰胺单溶剂的晶体结构和Hirshfeld表面分析
Sevinc R Hajiyeva,Fatali E Huseynov,Zeliha Atioğlu et al.
Sevinc R Hajiyeva et al.
In the title compound, C10H8N4O3·C3H7NO, the asymmetric unit contains two crystallographically independent mol-ecules A and B, each of which has one DMF solvate mol-ecule. Mol-ecules A and B both feature intra-molecular N-H⋯O hydrogen bon...
Crystal structure of a layered phosphate molybdate K2Gd(PO4)(MoO4) [0.03%]
层状磷钼酸盐K2Gd(PO4)(MoO4)的晶体结构
Valeriia Zozulia,Kateryna Terebilenko,Artem Voinalovych et al.
Valeriia Zozulia et al.
The title compound dipotassium gadolinium(III) phosphate(V) molybdate(VI), K2Gd(PO4)(MoO4), was synthesized from a high-temperature melt starting from GdF3 as a source of gadolinium. Its structure is isotypic with other M I 2 M III(M VIO4)(...
Synthesis and crystal structure of N1, N2-di-methyl-ethane-dihydrazide [0.03%]
N1,N2-二甲基乙烷二肼的合成及晶体结构分析
Yurii S Bibik,Dmytro M Khomenko,Roman O Doroshchuk et al.
Yurii S Bibik et al.
The title compound, N 1,N 2-di-methyl-ethane-dihydrazide, C4H10N4O2, was obtained by the methyl-ation of oxalyl dihydrazide protected with phthalimide. The mol-ecule is essentially non-planar with a dihedral angle between the two planar hyd...
Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine N-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra [0.03%]
二异硫氰酸四(4-甲基吡啶-N-氧合物)钴(II)和三(4-甲基吡啶-N-氧合物)二异硫氰酸钴(II)的合成及晶体结构：两种不同的金属配位多面体
Christian Näther,Inke Jess
Christian Näther
The reaction of Co(NCS)2 with 4-methyl-pyridine N-oxide (C6H7NO) leads to the formation of two compounds, namely, tetra-kis-(4-methyl-pyridine N-oxide-κO)bis-(thio-cyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)4] (1), and tris-(4-methyl-pyridin...
Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl-benz-yl)in-do-line-2,3-dione [0.03%]
晶体结构，希施菲尔德表面分析，晶体积空，相互作用能量计算和能量框架以及1-(4-甲基苯甲酰)吲哚啉2,3-二酮的DFT计算
Nohaila Rharmili,Omar Abdellaoui,Fouad Ouazzani Chahdi et al.
Nohaila Rharmili et al.
The in-do-line portion of the title mol-ecule, C16H13NO2, is planar. In the crystal, a layer structure is generated by C-H⋯O hydrogen bonds and C-H⋯π(ring), π-stacking and C=O⋯π(ring) inter-actions. The Hirshfeld surface analysis of t...
(E)- N, N-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework [0.03%]
(E)-N,N-二乙基-4-{[（4-甲氧苯基）亚胺]甲基}苯胺：晶体结构，Hirshfeld表面分析和能量框架
A Subashini,R Kumaravel,B Tharmalingam et al.
A Subashini et al.
In the title benzyl-ideneaniline Schiff base, C18H22N2O, the aromatic rings are inclined to each other by 46.01 (6)°, while the Car-N= C-Car torsion angle is 176.9 (1)°. In the crystal, the only identifiable directional inter-action is a ...
Synthesis, crystal structure and computational analysis of 2,7-bis-(4-chloro-phen-yl)-3,3-dimethyl-1,4-diazepan-5-one [0.03%]
2,7-双-(4-氯苯基)-3,3-二甲基-1,4-二氮杂环己烷-5-酮的合成，晶体结构和计算分析
Shanmugasundaram Akila,Thankakan Vidhyasagar,John Peter Winfred Jebaraj et al.
Shanmugasundaram Akila et al.
In the title compound, C19H20Cl2N2O, the seven-membered 1,4-diazepane ring adopts a chair conformation while the 4-chloro-phenyl substituents adopt equatorial orientations. The chloro-phenyl ring at position 7 is disordered over two positio...
An octa-nuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives [0.03%]
具有立方体Ni8核的八核尼克尔(II)吡唑配位团及其甲基和正辛基衍生化合物
Wisam A Al Isawi,Matthias Zeller,Gellert Mezei
Wisam A Al Isawi
The mol-ecular and crystal structure of a discrete [Ni8(μ4-OH)6(μ-4-Rpz)12]2- (R = H; pz = pyrazolate anion, C3H3N2 -) cluster with an unprecedented, perfectly cubic arrangement of its eight Ni centers is reported, along with its lower-sy...