Florian Meurer,Tanya Dimova,Michael Bodensteiner et al.
Florian Meurer et al.
The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO3. Like the previously reported 2,6-di-iodo-3,4,5-...
Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluoro-phen-yl)-4-[(4-fluoro-phen-yl)amino]-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate [0.03%]
乙基 1-(4-氟苯基)-4-[(4-氟苯基)氨基]-2,6-二苯基-1,2,5,6-六氢吡啶-3-甲酸盐的合成、晶体结构、Hirshfeld面分析及DFT和NBO研究
Ravi Bansal,Ray J Butcher,Sushil K Gupta
Ravi Bansal
The title com-pound, C32H28F2N2O2, a highly functionalized tetra-hydro-pyridine, was synthesized by a one-pot multi-com-ponent reaction of 4-fluoro-aniline, ethyl aceto-acetate and benzaldehyde at room temperature using sodium lauryl sulfat...
Synthesis, crystal structure and Hirshfeld surface analysis of (2 Z,2' E)-2,2'-(3-meth-oxy-3-phenylpropane-1,2-diyl-idene)bis-(hydrazine-1-carbo-thioamide) di-methyl-formamide monosolvate [0.03%]
(2Z,2'E)-2,2'-(3-甲氧基-3-苯基丙烷-1,2-二亚基亚胺基)双(肼-1-甲酰硫脲)的合成、晶体结构及Hirshfeld面分析及其 dimethylformamide 单合物
Firudin I Guseinov,Aleksandr V Knyazev,Elena V Shuvalova et al.
Firudin I Guseinov et al.
The overall mol-ecular configuration of the title compound, C12H16N6OS2·C3H7NO, is stabilized in the solid state by intra-molecular C-H⋯N, C-H⋯O, N-H⋯N and N-H⋯O inter-actions, forming S(5) ring motifs. In the crystal, mol-ecules are l...
Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ2N, N')nickel(II) dichloride dihydrate [0.03%]
水合氯化二 aqua-双(1-苯基丙烷-1,2-二胺-κ2N，N')镍(II)的合成、晶体结构、立体化学和Hirshfeld面分析
Shanmugasundaram Akila,Thankakan Vidhyasagar,Aravazhi Amalan Thiruvalluvar et al.
Shanmugasundaram Akila et al.
In the hydrated complex salt, [Ni(C9H14N2)2(H2O)2]Cl2·2H2O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water mol-ecule. The central nickel(II) atom is located on an in...
Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di-methyl-phen-yl)-5-(4-nitro-phen-yl)-2 H-1,2,3-triazole [0.03%]
4-叠氮基-2-(3,5-二甲基苯基)-5-(4-硝基苯基)-2H-1,2,3-三唑的晶体结构和Hirshfeld面分析
Abel Maharramov,Namiq Q Shikhaliyev,Afaq Abdullayeva et al.
Abel Maharramov et al.
In the title compound, C16H13N7O2, the 3,5-di-methyl-phenyl and 4-nitro-phenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.16 (7)°. In the crystal, the mol-ecul...
Crystal structure of 2-{[5-(methyl-sulfan-yl)-4-phenyl-4 H-1,2,4-triazol-3-yl]meth-yl}benzo[ d]thia-zole [0.03%]
2-{[5-(甲基硫代)-4-苯基-4H-1,2,4-三唑-3-基]甲基}苯并[d]噻唑的晶体结构
Rasha A Azzam,Galal H Elgemeie,Heba A Elboshi et al.
Rasha A Azzam et al.
In the structure of the title compound, C17H14N4O2, the triazole ring exhibits inter-planar angles of 63.86 (2) and 76.96 (2)° with the phenyl and benzo-thia-zole planes, respectively. The C-C-C angle at the methyl-ene group is rather wide...
Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-amino-benzoxazole [0.03%]
乙酸镉与2-氨基苯并恶唑配合物的合成、结构及Hirshfeld面分析
Surayyo Razzoqova,Aziz Ibragimov,Batirbay Torambetov et al.
Surayyo Razzoqova et al.
A first coordination compound of 2-amino-benzoxazole (2AB), namely, bis-(2-amino-benzoxazole-κN 3)bis-(acetato-κ2 O,O')cadmium(II), [Cd(CH3COO)2(2AB)2], has been synthesized from ethanol solutions of Cd(CH3(COO)2 and 2AB. In the monoclini...
Crystal structure and Hirshfeld surface analysis of 8-aza-niumylquinolinium tetra-chlorido-zincate(II) [0.03%]
8-氮杂-喹啉
Gulnora A Umirova,Khayit Kh Turaev,Bekmurod Kh Alimnazarov et al.
Gulnora A Umirova et al.
The reaction of 8-amino-quinoline, zinc chloride and hydro-chloric acid in ethanol yielded the title salt, (C9H10N2)[ZnCl4], which consists of a planar 8-aza-n-ium-yl-quinolinium dication and a tetra-hedral tetra-chloro-zincate dianion. The...
Diastereotopic groups in two new single-enanti-omer structures (R2)P(O)[NH-(+)CH(C2H5)(C6H5)] (R = OC6H5 and C6H5) [0.03%]
两个新的单对映体结构(R2)P(O)[NH-(+)CH(C2H5)(C6H5)](R=OC6H5和C6H5)中的非对立体群研究
Farnaz Eslami,Mehrdad Pourayoubi,Fahimeh Sabbaghi et al.
Farnaz Eslami et al.
The crystal structures of two single-enanti-omer compounds, i.e. diphenyl [(R)-(+)-α-ethyl-benzyl-amido]-phosphate, C21H22NO3P or (C6H5O)2P(O)[NH-(R)-(+)CH(C2H5)(C6H5)] (I), and N-[(R)-(+)-α-ethyl-benz-yl]-P,P-di-phenyl-phosphinic amide, ...
Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1 E)-1-[(carbamo-thioyl-amino)-imino]eth-yl}-4-methyl-1,3-thia-zol-3-ium chloride monohydrate [0.03%]
2-氨基-5-{(1E)-1-[(氨基硫羰基氨基)亚氨基]乙基}-4-甲基-1,3-噻唑-3-鎓氯化物一水合物的晶体结构和Hirshfeld面分析
Elnur Z Huseynov,Mehmet Akkurt,Ivan Brito et al.
Elnur Z Huseynov et al.
In the hydrated title salt, C7H12N5S2 +·Cl-·H2O, the asymmetric unit comprises one 2-amino-5-{(1E)-1-[(carbamo-thioyl-amino)-imino]-eth-yl}-4-methyl-1,3-thia-zol-3-ium cation, one chloride anion and one water mol-ecule of crystallization....