Crystal structure and Hirshfeld surface analysis of 10-(3-benzyl-thio-phen-2-yl)-5,5-di-fluoro-5 H-4λ4,5λ4-di-pyrrolo-[1,2- c:2',1'- f][1,3,2]di-aza-borinine [0.03%]
10-(3-苄基硫代苯-2-基)-5,5-二氟-5H-4λ4，5λ4-双吡咯并[1,2-c:2',1'-f][1,3,2]二氮杂硼inine的晶体结构和Hirshfeld面分析
Zlata A Polianskaia,Artem S Larionov,Victor N Khrustalev et al.
Zlata A Polianskaia et al.
In the title compound, C20H15BF2N2S, the twelve-membered ring system is essentially planar (r.m.s. deviation = 0.001 Å). The dihedral angles between the average plane of this ring and the thio-phene and phenyl rings are 58.69 (4) and 61.41...
Synthesis, crystal structure and Hirshfeld surface analysis of 4-(3-hy-droxy-6-meth-oxy-4-oxo-4 H-chromen-2-yl)benzaldehyde [0.03%]
4-(3-羟基-6-甲氧基-4-氧化-4H-色烯-2-基)苯甲醛的合成、晶体结构和Hirshfeld面分析
Arsenii D Snizhko,Viktoriya V Dyakonenko,Eugene S Gladkov et al.
Arsenii D Snizhko et al.
The asymmetric unit of the title compound, C17H12O5, contains one crystallographically independent mol-ecule featuring a chromenone fragment with hy-droxy and meth-oxy substituents and a benzaldehyde group. Intra-molecular O-H⋯O, C-H⋯O hy...
Synthesis, crystal structure and thermal properties of di-aqua-bis-(4-cyano-pyridine)-dithiocyanato-nickel(II) [0.03%]
二水合-4-氰基吡啶合-四硫氰酸根合镍(II)的合成、晶体结构和热性能研究
Christian Näther
Christian Näther
The reaction of Ni(NCS)2 and 4-cyano-pyridine (C6H4N2) in water leads to the formation of single crystals of the title compound, [Ni(NCS)2(C6H4N2)2(H2O)2]. The asymmetric unit consists of one NiII cation, which is located on a center of inv...
Crystal structures and Hirshfeld surface analyses of two precursors of the etoxazole metabolite 'R8' [0.03%]
两种新型etoxa唑代谢物“R8”的前体的晶体结构及Hirshfeld面分析
Chaluvarangaiah Sowbhagya,Thaluru M Mohan Kumar,Papegowda Bhavya et al.
Chaluvarangaiah Sowbhagya et al.
Etoxazole is an agricultural pesticide that degrades into potentially haza-rdous metabolites, necessitating a thorough understanding of their chemical properties for accurate environmental and health risk assessments. This study reports the...
Synthesis, crystal structure and Hirshfeld surface analysis of 3,3'-[ethane-1,2-diylbis(sulfanedi-yl)]bis-(1 H-1,2,4-triazol-5-amine) [0.03%]
基于乙撑二硫氨基的联三唑衍生物的合成、晶体结构及其Hirshfeld面分析
Shakhnoza Mavlonova,Giyosiddin Khayrullaev,Dilnoza Rakhmonova et al.
Shakhnoza Mavlonova et al.
The title compound, C6H10N8S2, crystallizes in the monoclinic crystal system with P21/c space group. The mol-ecular geometry features a flexible ethyl-enedi-thio spacer inducing a 76.69 (11)° dihedral angle between triazole moieties; this ...
Synthesis, crystal structure and Hirshfeld surface analysis of phenyl-methanaminium 2-oxo-2 H-chromene-3-carboxyl-ate [0.03%]
苯甲胺𬭩_2-氧杂_2H-色烯-3-羧酸盐的合成、晶体结构及其Hirshfeld面分析
M Sunithakumari,M U Gagan,V Dwarakanath et al.
M Sunithakumari et al.
The title salt, C7H10N+·C10H4O-, formed between 2-oxo-2H-chromene-3-carb-oxy-lic acid and benzyl-amine crystallizes in the triclinic space group P1. Proton transfer from 2-oxo-2H-chromene-3-carb-oxy-lic acid to the NH2 group of benzyl-amin...
Synthesis and structure of 4-[(2,3,4,5,6-pentafluoro-phen-oxy)carbon-yl]phenyl 4-(dodec-yloxy)benzoate [0.03%]
4-[(2,3,4,5,6-五氟苯氧基)甲酰基]苯基 4-(十二烷氧基)苯甲酸酯的合成和结构测定
Khaleel Ahmed,B Bommalingaiah,G N Venkatareddy et al.
Khaleel Ahmed et al.
In the title compound, C32H33F5O5, the dihedral angle between the central carbonyl-pheyl and peripheral perfluoro-phen-oxy and (dodec-yloxy)benzoate rings are 85.24 (2) and 78.98 (2)ο, respectively, indicating that the central ring is almo...
Synthesis and crystal structure of bis-[(1 E,6 E)-1,7-bis-(4-acet-yloxy-3-meth-oxy-phen-yl)hepta-1,6-diene-3,5-dionato(1-)-κ2 O, O'](methanol)dioxidouranium(VI) toluene monosolvate [0.03%]
六价铀化合物（硝基）双[（1E,6E]-1,7-双（4-乙酸氧-3-甲氧基苯基）庚烷-1,6-二烯-3,5-二酮](κ2O，O)]甲醇合物的合成和晶体结构以及其(toluene)溶剂化物
Van Ha Nguyen,Thi Nguyet Trieu,Chien Thang Pham
Van Ha Nguyen
The first uranium-curcuminoid coordination compound has been synthesized and structurally characterized. The title complex, [U(O)2(C25H23O8)2(CH3OH)]·C6H5CH3, crystallizes in the monoclinic space group C2/c. The neutral complex comprises a...
An analogue of indapamide: crystal structure and Hirshfeld surface analysis of 3-chloro-4-(N, N-diethynylsulfamo-yl)- N-(2-meth-yl-indolin-1-yl)benzamide [0.03%]
3-氯-4-(N，N-二乙炔基磺酰氨基)-N-(2-甲基吲哚啉-1-基)苯胺类似物茚达帕胺的晶体结构和Hirshfeld面分析
Youssef Ramli,Wedad Al Garadi,El Mokhtar Essassi et al.
Youssef Ramli et al.
The title mol-ecule, C22H20ClN3O3S, adopts a shallow cup-shaped conformation with the chloro-benzamide portion as the bottom. A puckering analysis of the five-membered ring indicates an envelope conformation. In the crystal, helical chains ...
Crystal structure and Hirshfeld surface analysis of 2-amino-5-bromo-1,3,4-triazol-3-ium chloride monohydrate [0.03%]
2-氨基-5-溴-1,3,4-三唑鎓氯化物单水合物的晶体结构和Hirshfeld面分析
Batirbay Torambetov,Mehmet Akkurt,Khudayar I Hasanov et al.
Batirbay Torambetov et al.
In the title salt, C2H3BrN3S+·Cl-·H2O, the cation C2H3BrN3S+ cation, the Cl- anion and the water mol-ecule are linked by N-H⋯Cl, N-H⋯O and O-H⋯Cl hydrogen bonds, forming mol-ecular layers parallel to the (002) plane. The crystal packin...