1-Ethenyl-2-(methyl-sulfan-yl)-4,4-diphenyl-4,5-di-hydro-1 H-imidazol-5-one (Thio-phenytoin analogue): synthesis, structure and Hirshfeld surface analysis [0.03%]
1-乙烯基-2-（甲基硫烷基）-4,4-二苯基-4,5-二氢-1H-咪唑并[1,5-a]吡嗪-5（1H）-酮(噻吩乙醇类似物):合成、结构及hirshfeld表面分析
Abderrazzak El Moutaouakil Ala Allah,Chiara Massera,Joel T Mague et al.
Abderrazzak El Moutaouakil Ala Allah et al.
The title mol-ecule, C18H16N2OS, exhibits a slight 'ruffling' of the imidazolone ring, and the lone pair on the tricoordinate nitro-gen atom is involved in N→C π-bonding within the ring. Both the methyl group bonded to sulfur and the viny...
Crystal structure and Hirshfeld surface analysis of ethyl 2-amino-4-(4-chloro-phen-yl)-5,6,7,8,9,10-hexa-hydro-cyclo-octa-[ b]pyridine-3-carboxyl-ate [0.03%]
2-乙基-4-氯苯基-5,6,7,8,9,10-六氢环辛并[b]吡啶-3-甲酸酯的晶体结构和Hirshfeld面分析
Srinivasan Pazhamalai,Chandiran Jayakodi,Velayutham Mahalakshmi et al.
Srinivasan Pazhamalai et al.
In the title compound, C20H23ClN2O2, the cyclo-octene ring has a boat-chair conformation. The ethyl formate moiety is equally disordered over two positions. The dihedral angle between the pyridine and chloro-phenyl rings is 81.33 (13)°. An...
Crystal structure of (dibenzo-21-crown-7)di-iodido-samarium(II) 1,2-di-meth-oxy-ethane hemisolvate [0.03%]
二碘化钐与冠醚和乙二醇的配合物的晶体结构研究
Hannah B Wineinger,Joseph M Sperling,Thomas E Albrecht
Hannah B Wineinger
The title compound, [SmI2(C22H28O7)]·0.5C4H10O2 or Sm(dibenzo-21-crown-7)I2·0.5dimethoxyethane, was obtained as a minor product by layering di-meth-oxy-ethane solutions of SmI2 and dibenzo-21-crown-7. The asymmetric unit consists of one S...
Synthesis and structure of a 1:1 1-phenyl-semicarbazide-1-phenyl-pyrazolidin-3-one cocrystal [0.03%]
1-苯基半碳酰肼-1-苯基吡唑啉酮共晶的合成与结构测定
S Muthu,V L Siji,S S Sreejith et al.
S Muthu et al.
The title cocrystal, C7H9N3O·C9H10N2O, was obtained by the cocrystallization of 1-phenyl-semicarbazide (A) and 1-phenyl-pyrazolidin-3-one (B) in a 1:1 molar ratio from methanol solution. The structure features a gauche arrangement about th...
Crystal structures of the homologues diethyl and dimethyl (10 H-indeno-[1,2- b]quinoxalin-11-yl)phospho-nate: use of non-spherical scattering factors [0.03%]
二乙基和二甲基(10H-indhno-[1,2-b]夸口辛基)亚磷酰胺的晶体结构：非球形散射因子的应用
Ghada A Eldeken,Fatma A El-Samahy,Ehab M Zayed et al.
Ghada A Eldeken et al.
The two title compounds, 4a C19H19N2O3P and 4b C17H15N2O3P, are not isotypic. The tetra-cyclic ring systems are essentially planar. The phospho-nate groups are similarly oriented. Compound 4a crystallizes in P1 with Z' = 1; mol-ecules are l...
Crystal structure and Hirshfeld surface analysis of 3,3'-(sulfanedi-yl)bis-(2-iodo-1-methyl-1 H-indole) [0.03%]
3,3'-（硫烷二基）双（2-碘代-1-甲基-1H-吲哚）的晶体结构及 Hirshfeld 表面分析
Adisa Ayobami,Abid Shaikh,Clifford W Padgett
Adisa Ayobami
The title compound, C18H14I2N2S, comprises two N-methyl-2-iodo-indole fragments linked at the 3-positions by a thio-ether bridge. The sulfur atom adopts a typical thio-ether geometry, and the C-S-C linkage is gauche on both sides, with C-S-...
Crystal structure, spectroscopic characterization, and Hirshfeld surface analysis of (E)-6-(ferrocenylmethyl-idene)-6,7-di-hydro-5 H-indeno-[5,6- d][1,3]dioxol-5-one [0.03%]
(E)-6-(菲咯啉甲基烯)-6,7-二氢-5H-吲哚并[5,6-d][1,3]二氧戊环-5-酮的晶体结构、光谱表征及hirshfeld面分析
José A Méndez-Román,Alejandro Burgos-Suazo,Liz N Santiago-Martoral et al.
José A Méndez-Román et al.
The title compound, [Fe(C5H5)(C16H11O3)], was synthesized through a Claisen-Schmidt condensation. The title compound crystallizes in the monoclinic space group P21/c with four mol-ecules per unit cell. In the crystal, mol-ecules are arrange...
Crystal structures of an azo-benzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof [0.03%]
偶氮苯桥联氮杂冠醚及钠配合物的晶体结构
Christoph Schwab,Elisabeth Kreidt
Christoph Schwab
We report the single-crystal X-ray diffraction structures of the azo-benzene-bridged aza-18-crown-6 cryptand 7,16-[3,3'-(diazene-1,2-di-yl)bis-(1,3-phenyl-enecarbon-yl)]-1,4,10,13-tetra-oxa-7,16-di-aza-cyclo-octa-decane, C26H32N4O6, 1, and ...
Syntheses and structures of bis(2-amino-py-rimi-dine-κ N 1)di-chlorido-zinc(II) (ortho-rhom-bic polymorph) and bis(2-am-ino-py-rimi-dine-κ N 1)di-iodido-zinc(II) [0.03%]
二水合锌(II)双(2-氨基哒嗪-κN1)氯化物(斜方型多形)和二水合锌(II)双(2-氨基哒嗪-κN1)碘化物的合成与结构研究
Christian Näther,Gaurav Bhosekar
Christian Näther
The title compounds, [ZnCl2(C4H5N3)2] (1) and [ZnI2(C4H5N3)2] (2) (C4H5N3 = 2-amino-pyrimidine), were prepared from a solvent mixture of tri-chloro-methane and methanol and structurally characterized. The asymmetric unit of 1 consists of on...
Synthesis and structure of a binuclear calcium nitrate coordination complex with bridging zwitterionic nicotinic acid [0.03%]
具有桥连两性离子烟酸配体的钙硝酸盐二核配合物的合成与结构测定
Gulmira Burkitbaeva,Zulfiya Djumanazarova,Aysanem Bektursinova et al.
Gulmira Burkitbaeva et al.
The title coordination complex, bis-(μ-pyridin-1-ium-3-carboxyl-ato-κ2 O:O')bis-[di-aqua-bis-(nitrato-κ2 O,O')calcium(II)], [Ca2(C6H5NO2)2(NO3)4(H2O)4], was prepared from calcium nitrate and nicotinic acid in a water-ethanol solvent mixt...