Marilyn Naeem,Alexander M Sherwood,Andrew R Chadeayne et al.
Marilyn Naeem et al.
The title compound, baeocystin or 4-phosphor-yloxy-N-methyl-tryptamine {systematic name: 3-[2-(methylazaniumyl)ethyl]-1H-indol-4-yl hydrogen phosphate}, C11H15N2O4P, has a single zwitterionic mol-ecule in the asymmetric unit. The mol-ecule ...
Crystal structure and Hirshfeld surface analysis of 2,4,6-tri-amino-pyrimidine-1,3-diium dinitrate [0.03%]
2,4,6-三氨基嘧啶-1,3-二离子二硝酸盐的晶体结构及Hirshfeld面分析
Sumra Dilshad,Emine Berrin Çınar,Arif Ali et al.
Sumra Dilshad et al.
The title compound, C4H9N5 2+·2NO3 -, crystallizes in the monoclinic crystal system, space group P21/c. The asymmetric unit, which comprises a diprotonated tri-amino-pyrimidine dication and two nitrate anions, has an almost planar geometry...
Di-chlorido-(4-methyl-aniline-κ N)[ N-(4-methyl-phen-yl)-1-(thio-phen-2-yl)methanimine-κ N]palladium(II) [0.03%]
二氯化N-（4-甲基苯基）-1-（噻吩-2-基）甲醛亚胺-N](4-甲基苯胺-N}钯(II)
Ray J Butcher,Puspendra Singh,Gulam Shabbani
Ray J Butcher
The structure of a mono-amine PdII complex, [PdCl2(C7H9N)(C12H11NS)], which crystallizes in the triclinic space group, P , is reported. The primary geometry around the PdII atom closely resembles square planar (τ4' = 0.069). In the (E)-1-(...
Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl-butan-2-yl)-2-hy-droxy-2-methyl-4-phenyl-cyclo-hexane-1,1-dicarbo-nitrile [0.03%]
3-苯甲酰基-6-(1,3-二氧代-1-苯基丁-2-基)-2-羟基-2-甲基-4-苯基环己烷-1,1-二甲腈的晶体结构和Hirshfeld面分析
Farid N Naghiyev,Victor N Khrustalev,Ekaterina V Dobrokhotova et al.
Farid N Naghiyev et al.
The central cyclo-hexane ring of the title compound, C32H28N2O4, adopts a chair conformation, with puckering parameters Q T = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°. In the crystal, mol-ecules are linked by O-H⋯O, C-H⋯O and C...
Ralf Albrecht,Thomas Doert,Michael Ruck
Ralf Albrecht
Crystal structure data for potassium orthoselenate(IV), K2SeO3, are reported for the first time. Colorless, block-shaped crystals were grown in a potassium hydro-flux, i.e. under ultra-alkaline conditions, within 10 h. K2SeO3 crystallizes i...
Synthesis, crystal structure and Hirshfeld surface analysis of hexa-aqua-nickel(II) bis-(4-hy-droxy-benzoate) dihydrate [0.03%]
六水合镍(II)双(4-羟基苯甲酸盐)二 hydrate的合成、晶体结构和Hirshfeld面分析
Abror Ruzmetov,Aziz Ibragimov,Jamshid Ashurov et al.
Abror Ruzmetov et al.
The title compound, [Ni(H2O)6](PHB)2·2H2O (1) (PHB = 4-hy-droxy-benzoate, C7H5O3), was obtained by the reaction of NiCl2, 4-hy-droxy-benzoic acid (PHBA) and mono-ethano-lamine in aqueous ethanol solution. The NiII ion is coordinated by six...
A study of the crystal structures, supra-molecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine [0.03%]
次黄嘌呤和黄嘌呤溴化物的晶体结构、超分子模式及Hirshfeld表面研究
Udhayasuriyan Sathya,Jeyaraman Selvaraj Nirmalram,Sundaramoorthy Gomathi et al.
Udhayasuriyan Sathya et al.
Two new crystalline salts, namely, hypoxanthinium bromide monohydrate, C5H5N4O+·Br-·H2O (I) and xanthinium bromide monohydrate, C5H5N4O2 +·Br-·H2O (II), were synthesized and characterized by single-crystal X-ray diffraction technique an...
Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile [0.03%]
含溴取代苯环的吡啶并嘧啶酮化合物的晶体结构及Hirshfeld面分析
Farid N Naghiyev,Victor N Khrustalev,Ekaterina V Dobrokhotova et al.
Farid N Naghiyev et al.
In the title compound, C19H13BrN2O, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) Å for the N atom] and makes dihedral angles of 74.6 (2) and 65.8 (2)°, respectively, with the phenyl and bromo-phenyl rings, which ...
Crystal structure and Hirshfeld surface analysis of 2-azido- N-(4-fluoro-phen-yl)acetamide [0.03%]
2-叠氮-N-(4-氟苯基)乙酰胺的晶体结构和Hirshfeld面分析
Mohcine Missioui,Walid Guerrab,Abdulsalam Alsubari et al.
Mohcine Missioui et al.
The asymmetric unit of the title compound, C8H7FN4O, consists of two independent mol-ecules differing in the orientation of the azido group. Each mol-ecule forms N-H⋯O hydrogen-bonded chains along along the c-axis direction with its symmet...
Crystal structure, Hirshfeld surface and frontier mol-ecular orbital analysis of 10-benzyl-9-(4-hydroxy-3-meth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2 H,5 H)-dione [0.03%]
10-苯甲基-9-(4-羟基-3-甲氧基苯基)-3,3,6,6-四甲基-3,4,6,7,9,10-六氢苊-1,8(2H,5H)-二酮的晶体结构、Hirshfeld面及前线分子轨道分析
V Sughanya,B Loganathan,D Praveenkumar et al.
V Sughanya et al.
In the fused ring system of the title mol-ecule, C31H35NO4, the conformation of the central di-hydro-pyridine ring is inter-mediate between boat and envelope with the N and the opposite C atoms lying out of the basal plane. The conformation...