Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate

Autor:	Ludmila A. Kruglyakova, Rudolf S. Stepanov, Alexander D. Vasiliev, A. M. Astakhov, A. M. Sirotinin, Maxim S. Molokeev
Rok vydání:	2004
Předmět:	Chemistry Hydrogen bond Crystal structure law.invention Inorganic Chemistry Crystal Crystallography law Intramolecular force Materials Chemistry Water of crystallization Molecule Physical and Theoretical Chemistry Crystallization Monoclinic crystal system
Zdroj:	Journal of Structural Chemistry. 45:537-540
ISSN:	1573-8779 0022-4766
DOI:	10.1007/s10947-005-0026-5
Popis:	The structure of 5-nitraminotetrazole sodium salt sesquihydrate was determined by X-ray diffraction. The crystals are monoclinic, space group P21/c;a = 3.551(1) A, b = 21.834(4) A, c = 9.075(2) A; β = 110.68(3)°; V = 658.3(2) A3; Z = 4; Ρcalc = 1.807 g/cm3. The anion is planar and has an intramolecular hydrogen bond. The negative charge of the anion is localized on one of the oxygens of the nitro group. The sodium cation (c.n.6) is coordinated by three oxygen atoms of different anions and three oxygens of crystallization water. One of the crystallization water molecules is disordered in the unit cell. The anions are hydrogen-bonded with each other and with crystallization water molecules.
Databáze:	OpenAIRE
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