Synthesis, crystal structure, Hirshfeld surface analysis, and energy framework of bis-{3-(4-bromo-phen-yl)-5-[6-(1 H-pyrazol-1-yl)pyridin-2-yl]-4 H-1,2,4-triazol-4-ido}nickel(II) methanol disolvate and comparison with its chloro-substituted analogue [0.03%]
双{3-(4-溴苯基)-5-[6-(1H-吡唑-1-基)吡啶-2-基]-4H-1,2,4-三氮唑-4-亚胺}镍(II)甲醇二溶剂合物的合成、晶体结构、Hirshfeld面分析和能量体系以及与它的氯取代类似物比较
Kateryna Znovjyak,Sergiu Shova,Sergiy O Nikitin et al.
Kateryna Znovjyak et al.
The unit cell of the title compound, [Ni(C16H10BrN6)2]·2CH3OH, contains a neutral complex and two methanol mol-ecules. The NiII ion adopts a pseudo-octa-hedral geometry, coordinated by two tridentate ligands via pyrazole, pyridine, and tri...
Synthesis and crystal structure of (E)- N-[(2-bromo-phen-yl)methyl-idene]-3,5-bis-(tri-fluoro-meth-yl)aniline [0.03%]
(Е)-N-[(2-溴苯基)亚甲基]-3,5-双(三氟甲基)苯胺的合成和晶体结构
Nicholas B Kingsley,Tyler J Doyon,Daron E Janzen
Nicholas B Kingsley
The title compound C15H8BrF6N, was prepared by a condensation reaction of 2-bromo-benzaldehyde and 3,5-bis-(tri-fluoro-meth-yl)aniline in the presence of anhydrous magnesium sulfate. The compound readily crystallizes from a concentrated hex...
Synthesis and crystal structure of N, N'-(1,4-phenyl-enedi-methyl-idyne)bis-(2-phenyl-benzenamine) [0.03%]
N，N'-（1,4-苯乙二炔）双（2-苯基苯胺）的合成和晶体结构
Siva Kumar Srinivasan,Biraj Jyoti Borah,Vittal Babu Gudimetla
Siva Kumar Srinivasan
This work reports the synthesis and structural aspects of the title compund, a conjugated 1,4-phenyl-enedi-imine, C32H24N2, which is encumbered with two steric biphenyl moieties. The compound possesses an inversion center and crystallizes i...
Crystal structure, Hirshfeld analysis and electrochemical properties of poly[di-aqua-bis-[μ6-2-cyano-2-(oxido-imino)-acetato]-copper(II)disodium] [0.03%]
晶体结构、Hirshfeld面分析及聚[[二水合-双-[μ6-2-氰基-乙二肟根]]亚铜(II)二钠]的电化学性质研究
Maksym O Plutenko,Irina A Golenya,Vladyslav M Plavkov et al.
Maksym O Plutenko et al.
The title compound, [Na2Cu(C3N2O3)2(H2O)2] n , is a three-dimensional coordination polymer composed of divalent copper-centered complex anions, linked by sodium and water mol-ecules. The copper(II) ion adopts a distorted octahedral coordina...
catena-Poly[[(5,5'-dimethyl-2,2'-bi-pyridine)nickel(II)]-μ2-azido-κ2 N: N-μ2-azido-κ2 N: N']: synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations [0.03%]
[镍（II）（5,5'-二甲基-2,2'-联吡啶）（叠氮化物）]多聚体的合成、晶体结构、Hirshfeld表分析和DFT计算
Zouaoui Setifi,Fatima Setifi,David K Geiger et al.
Zouaoui Setifi et al.
The title compound, [Ni(N3)2(C12H12N2)] n , was synthesized solvothermally and characterized crystallographically. The compound forms a one-dimensional coordination polymer containing alternating spiro-fused four- and eight-membered rings, ...
Synthesis and structure of a square-planar copper-norflaxacin coordination complex [0.03%]
方形铜-氟罗沙星配位化合物的合成及结构测定
Abdusamat Rasulov,Batirbay Torambetov,Jabbor Suyunov et al.
Abdusamat Rasulov et al.
The title coordination complex, bis-[4-(3-carboxyl-ato-1-ethyl-6-fluoro-4-oxo-1,4-di-hydro-quinolin-7-yl)piperazin-1-ium-κ2 O 3,O 4]copper(II) dinitrate, [Cu(C16H18FN3O3)2](NO3)2, was synthesized from norfloxacin (NF) and Cu(NO3)2·3H2O. T...
Crystal structure and Hirshfeld surface analysis of bis-(2-amino-1-methyl-benzimidazole-κ N 3)bis-(salicylato-κ2 O, O')copper(II) [0.03%]
二氯化铜(II)的晶体结构及Hirshfeld面分析：2-氨基-1-甲基苯并咪唑和水杨酸根合.channels(-N3)(O, O')盐
Salmon Mukhammadiev,Feruza Fayzullayeva,Zukhra Kadirova et al.
Salmon Mukhammadiev et al.
The title complex, [Cu(C7H5O3)2(C8H9N3)2], crystallizes in the monoclinic space group C2/c. The CuII cation is located on an inversion center and adopts a distorted octa-hedral coordination environment defined by two aromatic N atoms from n...
Sean Parkin
Sean Parkin
In routine small-molecule structure refinements with SHELXL, the default weighting scheme relies on two adjustable parameters, a and b, in the WGHT command. For most refinements the a value is typically
Crystal structure and Hirshfeld surface analysis of 4-benzyl-2 H-benzo[ b][1,4]oxazin-3(4 H)-one [0.03%]
4-苯甲基-2H-苯并[b][1,4]氧嗪-3(4H)-酮的晶体结构和Hirshfeld面分析
Soukaina El Haddad,Olivier Blacque,Tuncer Hökelek et al.
Soukaina El Haddad et al.
The mol-ecule of the title compound, C15H13NO2, comprises a non-planar oxazine ring (twisted-boat conformation) fused to a benzene ring, and a benzyl moiety. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into [010] supra-molecul...
Crystal structure and Hirshfeld surface studies of 4-bromo-2-chloro-phenyl (2 E)-3-[4-(pent-yloxy)phen-yl]prop-2-enoate [0.03%]
4-溴-2-氯苯基(2E)-3-[4-(戊氧基)苯基]丙-2-烯酸酯的晶体结构和Hirshfeld面研究
M Harish Kumar,S Santhosh Kumar,H C Devarajegowda et al.
M Harish Kumar et al.
The asymmetric unit of the compound C20H20BrClO3 contains one independent mol-ecule in which the aromatic rings are oriented at a dihedral angle of 83.30 (2)°. An intra-molecular C-H⋯O contact generates a five-membered S(5) ring motif. In...