15 Result(s)
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Article
The Structure of Tetranuclear Zirconium Pivalate Zr4O2[(CH3)3CCO2]12 According to X-Ray Diffraction Analysis and Quantum Chemical Calculations
The crystal and molecular structure of a polynuclear pivalate complex obtained by the interaction of ZrCl4 with pivalic acid is determined by X-ray diffraction analysis. The compound C71H124O28Zr4 crystallizes in...
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Article
The Glow of Mg and Ca Atoms When They Interact with H Atoms
During the evaporation of magnesium and calcium in partially dissociated H2, a glow with λ = 4571.15 and 6572.78 Å is detected, corresponding to the transitions
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Article
Cyanomethyl-Substituted Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, and Ballistic Efficiency
7-Cyanomethyl-7Н-difurazano[3,4-b:3′,4′-f]furoxano[3″,4″-d]azepine (Az(O)CH2CN) and 7-cyanomethyl-7Н-trifurazano[3,4-b:3′,4′-d:3″,4″-f]azepine (AzCH2CN) are synthesized for the first time as potential dispersants...
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Article
A Surprising Example of Crystal Structure Retention for 3,5-Di-(tert-butyl)-2-hydroxyazobenzene Ligand during the Formation of Ni(II) and Pd(II) Complexes
The structures of 3,5-di-(tert-butyl)-2-hydroxyazobenzene (L) in the free state and in complexes with Ni2+ (I) and Pd2+ (II) cations are studied by X-ray diffraction (XRD). The same space group R ...
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Article
Refinement of the Molecular Structure of Ammonium Pentachloroaquaferrate (NH4)2[FeCl5(H2O)]
The crystal structure of ammonium pentachloroaquaferrate (NH4)2[FeCl5(H2O)] is refined (CIF file CCDC no. 1831198). Compounds (А)х[FeCl5(H2O)], where A is an organic or inorganic anion (х = 1, 2), crystallize in ...
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Article
Specific Features of the Molecular Structure of A New 3-(Benzo[d]Oxazole-2-Yl)- 1-(2-(1,3,3-Trimethylindoline-2-Ylidene) Ethylidene)Naphthalene-2(1H)-One Zinc Chloride Complex
X-ray diffraction is used to determine the structure of a new 3-(benzo[d]oxazole-2-yl)-1-(2-(1,3,3- trimethylindoline-2-ylidene)ethylidene)naphthalene-2(1H)-one zinc chloride complex 1. It is demonstrated that th...
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Article
Standard Enthalpy of Formation of the Bimolecular Crystal of CL-20 with Tris-Oxadiazolo-Azepine and Its Thermal Stability
The standard enthalpies of combustion and formation of 7H-tris([1,2,5]oxadiazolo) [3,4-b:3′,4′-d:3″,4″-f]azepine, its bimolecular crystal with the γ-polymorph of CL-20, and the γ-polymorph of CL-20 have been e...
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Article
Crystal structure of copper(II) 2-methyl-3-{[3-methyl-5-oxo-1-phenylpyrazole-4-ylidene-methyl]amino}-quinazoline-4-onate
The crystal and molecular structure of a copper(II) complex based on 2-methyl-3-{[3-methyl-5-oxo-1-phenylpyrazole-4-ylidene-methyl]amino}-quinazoline-4-one is studied by single crystal X-ray diffraction. The c...
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Article
Crystal and molecular structure of the derivatives of perchlorate (4Н-chromen-4-yl) and (9Н-xanthene-9-yl) triphenyl phosphonium
The X-ray diffraction study of new derivatives of perchlorate (9Н-xanthene-9-yl) and (4H-chromen-4-yl) triphenyl phosphonium is performed. It is demonstrated that the change in the molecular structure leading ...
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Article
Molecular structures of new 2-(quinoline-2-yl)-1,3-tropolones
The molecular structures of 5,7-di(tert-butyl)-2-(6,8-dimethyl-4-piperidinoquinoline-2-yl)-3-hydroxytropone and 5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinoline-2-yl)-3-hydroxytropone are determined by th...
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Article
Copper complexes with N-aminotriazolethione azomethines: Structures and magnetochemical properties
Azomethine derivatives of 4-amino-1,2,4-triazole-3-thiones (H2L) and their metal complexes were obtained. The stabilities of the ligand conformers were calculated using quantum-chemical techniques. Ab initio (B3L...
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Article
The energy parameters of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane polymorphs and their phase transitions
The calculated dispersion and electrostatic intermolecular interaction energies in crystals of γ, α(H2O), and ɛ polymorphs of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazawurtzitane (HNIW) were compared. Prelimin...
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Article
Several aspects of intermolecular interactions between the carbonyl and imine groups in the crystals of compounds containing six-membered heterocycles
Three modifier compounds that stabilize the phase state of ammonium nitrate over a wide range of temperatures, 1,3,5-trihydroxyisocyanuric acid dihydrate (1), 4-aminouracil (2), and 4-aminouracil monohydrate (3) ...
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Article
Crystalline and molecular structure of 2,4-diamino-6-dinitromethyl-1,3,5-triazine potassium salt
An X-ray diffraction study of 2,4-diamino-6-dinitromethyl-1,3,5-triazine potassium salt is reported. Crystals are monoclinic: a = 7.697(2) Å, b = 11.147(2) Å, c = 12.612(4) Å, β = 117.95(2)°, V = 955.9(4) Å3, spa...
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Article
Formation of intermolecular hydrogen bonds in light-sensitive crystals of C-2′-(o-oxyphenyl)vinyl-N-p-methylphenyl nitrone, C-2′-(2″-oxy-5″-bromophenyl)vinyl-N-p-methylphenyl nitrone, C-2′-(2″-oxy-5″-bromophenyl)-vinyl-N-phenyl nitrone, and C-2′-(o-oxyphenyl)vinyl-n-methyl nitrone
This paper studies the crystal structure of new substituted light-sensitive azomethine N-oxides (nitrones): C-2′-(o-oxyphenyl)vinyl-N-p-methylphenyl nitrone (1), C-2′-(2″-oxy-5″-bromophenyl)vinyl-N-p-methylphe...
