Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile [0.03%]
2-氨基-6-((1-苯乙基)氨基)-4-(噻吩-2-基)吡啶-3,5-二腈的晶体结构和Hirshfeld面分析
Farid N Naghiyev,Victor N Khrustalev,Khammed A Asadov et al.
Farid N Naghiyev et al.
In the title compound, C19H15N5S, the thio-phene ring is disordered in a 0.6:0.4 ratio by an approximate 180° rotation of the ring around the C-C bond linking it to the pyridine ring. In the crystal, the mol-ecules are linked by N-H⋯N hyd...
Synthesis and crystal structure studies of 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3 H)-one at 180 K [0.03%]
5-(三氟甲基)-1,3,4-噻二唑-2(3H)-酮的合成与晶体结构研究
Doreswamy Geetha,Thaluru M Mohan Kumar,Haleyur G Anil Kumar et al.
Doreswamy Geetha et al.
The synthesis and crystal structure of C3HF3N2OS, systematic name 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3H)-one (5-TMD-2-one), a compound containing the pharmacologically important heterocycle 1,3,4-thia-diazole, is presented. The asym...
Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1 H-[1,2,4]triazolo[1,5- a]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate [0.03%]
5-氧-7-苯基-2-(苯基氨基)-1H-[1,2,4]三氮唑并[1,5-a]吡啶-6,8-二腈二甲亚砜溶剂化物的晶体结构和 Hirshfeld 表面分析
Farid N Naghiyev,Victor N Khrustalev,Huseyn M Mamedov et al.
Farid N Naghiyev et al.
In the title compound, C20H12N6O·C2H6OS, the [1,2,4]triazolo[1,5-a]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl-amino and phenyl rings. In the crystal, mol-ecul...
Synthesis and crystal structure of bis-(2-phthal-imido-eth-yl)ammonium chloride dihydrate [0.03%]
双(2-苯并咪唑基乙基)胺氯化物二水合物的合成和晶体结构
Barry S Young,Jamie L Lee,Milan Gembicky et al.
Barry S Young et al.
The title compound {systematic name: bis-[2-(1,3-dioxoisoindol-2-yl)eth-yl]aza-nium chloride dihydrate}, C20H18N3O4 +·Cl-·2H2O, is a phthalimide-protected polyamine that was synthesized by a previous method. It was characterized by ESI-MS...
Crystal structure of 4-[(4-methyl-benz-yl)-oxy]- N'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative [0.03%]
4-[(4-甲基苯基)氧代]-N'-(4-硝基苯基甲基)苯胲腙的晶体结构：一个新的腙类化合物
Md Hasan Al Banna,Md Chanmiya Sheikh,Ryuta Miyatake et al.
Md Hasan Al Banna et al.
The mol-ecular structure of the title compound, C22H19N3O4, shows a non-coplanar conformation, with dihedral angles between the phenyl rings of 73.3 (1) and 80.9 (1)°. These deformations are induced by the crystal packing that is mainly go...
Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol [0.03%]
阿米替林醇的四种分子盐的合成、晶体结构和Hirshfeld表面分析
Vinaya,Haleyur G Anil Kumar,Thaluru M Mohan Kumar et al.
Vinaya et al.
The syntheses and crystal structures of four salts of amitriptynol (C20H25NO) with different carb-oxy-lic acids are described. The salts formed directly from solutions of amitriptyline (which first hydrolysed to amitriptynol) and the cor-re...
Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluoro-phen-yl)- N-isopropyl-2-(methyl-sulfon-yl)acetamide [0.03%]
4-氟苯基异丙基-2-甲磺酰乙酰胺的合成、晶体结构和Hirshfeld面分析
Doreswamy Geetha,Haleyur G Anil Kumar,Thaluru M Mohan Kumar et al.
Doreswamy Geetha et al.
The synthesis and crystal structure of the title compound, C12H16FNO3S, which is related to the herbicide flufenacet, are presented. The dihedral angle between the amide group and the fluorinated benzene ring is 87.30 (5)° and the N-C-C-S ...
Structural, Hirshfeld surface and three-dimensional inter-action-energy studies of 1,3,5-triethyl 2-amino-3,5-di-cyano-4,6-bis-(4-fluoro-phen-yl)cyclo-hex-1-ene-1,3,5-tri-carboxyl-ate [0.03%]
1,3,5-三乙基-2-氨基-3,5-二氰基-4,6-双(对氟苯基)环己-1-烯-1,3,5-三甲酸酯的结构、Hirshfeld面及三维相互作用能研究
S N Chandana,D P Ganesha,N R Sreenatha et al.
S N Chandana et al.
In the title compound, C29H27F2N3O6, which crystallizes in the monoclinic space group P21/c, the cyclo-hexenone ring is puckered and adopts an envelope conformation. The crystal structure features various inter-molecular inter-actions, such...
Basil M Ahmed,Matthias Zeller,Gellert Mezei
Basil M Ahmed
Only two 4-halo-1H-pyrazole crystal structures are known to date (chloro and bromo, the structure of 4-iodo-1H-pyrazole has not been reported yet). The triclinic structure of 4-fluoro-1H-pyrazole, C3H3FN2 (P ), reported here is not isomorph...
Crystal structure and Hirshfeld surface analysis of N-[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro- N-[(3-nitro-phen-yl)sulfon-yl]benzene-sulfonamide [0.03%]
N-[2-(5-甲基呋喃-2-基)苯基]-3-硝基-N-[(3-硝基苯基)磺酰]-苯磺酰胺的晶体结构和Hirshfeld面分析
Gunay Z Mammadova,Selbi Annadurdyyeva,Gleb M Burkin et al.
Gunay Z Mammadova et al.
In the title compound, C23H17N3O9S2, C-H⋯O hydrogen bonds link adjacent mol-ecules in a three-dimensional network, while π-π stacking inter-actions, with centroid-centroid distances of 3.8745 (9) Å, between the furan and an arene ring o...