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Preparation and Molecular Structure of {[Ca(CHZ) 2 (H 2 O)](NTO) 2 ⋅3.5H 2 O} n
Author(s) -
Tonglai Zhang,
Chunhua Lu,
Jianguo Zhang,
Kaibei Yu
Publication year - 2003
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200300017
Subject(s) - chemistry , crystallography , materials science
The title compound {[Ca(CHZ) 2 (H 2 O)](NTO) 2 ⋅3.5H 2 O} n was synthesized by using an aqueous solution of calcium 3‐nitro‐1,2,4‐triazol‐5‐onate and carbohydrazide (CHZ, NH 2 NHCONHNH 2 ). Its molecular structure was determined by X‐ray diffraction and its crystals have monoclinic form, with space group C2/c, where a =2.4483(4) nm, b =1.2581(2) nm, c =1.6269(3) nm, β=121.168(12)°, V =4.2879(13) nm 3 , Z =8, d c =1.727 g⋅cm −3 , μ (Mo K α )=3.9 cm −1 , M =557.47, F (000)=2312. The coordination polyhedron is a tricapped trigonal prism in a tetradecahedron with a coordination number of nine. The whole molecule has many long chains formed through the carbohydrazide bridges, and every long chain is unlimited along the c axis. The long chains are linked by hydrogen bonds to form the crystal structure.