Preparation and Molecular Structure of {[Ca(CHZ)2(H 2O)](NTO)2 · 3.5H2O}n

Tonglai Zhang; Chunhua Lu; Jianguo Zhang; Kaibei Yu

doi:10.1002/prep.200300017

Preparation and Molecular Structure of {[Ca(CHZ)₂(H ₂O)](NTO)₂ · 3.5H₂O}_n

Tonglai Zhang^*
, Chunhua Lu
, Jianguo Zhang
, Kaibei Yu

^*Corresponding author for this work

School of Mechatronical Engineering

Research output: Contribution to journal › Article › peer-review

26 Citations (Scopus)

Abstract

The title compound {[Ca(CHZ)₂(H₂O)](NTO)₂ · 3.5H₂O}_n was synthesized by using an aqueous solution of calcium 3-nitro-1,2,4-triazol-5-onate and carbohydrazide (CHZ, NH₂NHCONHNH₂). 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) nm³, Z = 8, d^c = 1.727 g · cm^-3, μ (Mo K_a) = 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.

Original language	English
Pages (from-to)	271-276
Number of pages	6
Journal	Propellants, Explosives, Pyrotechnics
Volume	28
Issue number	5
DOIs	https://doi.org/10.1002/prep.200300017
Publication status	Published - Oct 2003

Keywords

Carbohydrazide (CHZ)
Energetic Material
Mining Application
NTO
X-Ray Diffraction

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10.1002/prep.200300017

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title = "Preparation and Molecular Structure of \{[Ca(CHZ)2(H 2O)](NTO)2 · 3.5H2O\}n",

abstract = "The title compound \{[Ca(CHZ)2(H2O)](NTO)2 · 3.5H2O\}n was synthesized by using an aqueous solution of calcium 3-nitro-1,2,4-triazol-5-onate and carbohydrazide (CHZ, NH2NHCONHNH2). 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) nm3, Z = 8, dc = 1.727 g · cm-3, μ (Mo Ka) = 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.",

keywords = "Carbohydrazide (CHZ), Energetic Material, Mining Application, NTO, X-Ray Diffraction",

author = "Tonglai Zhang and Chunhua Lu and Jianguo Zhang and Kaibei Yu",

year = "2003",

month = oct,

doi = "10.1002/prep.200300017",

language = "English",

volume = "28",

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journal = "Propellants, Explosives, Pyrotechnics",

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T1 - Preparation and Molecular Structure of {[Ca(CHZ)2(H 2O)](NTO)2 · 3.5H2O}n

AU - Zhang, Tonglai

AU - Lu, Chunhua

AU - Zhang, Jianguo

AU - Yu, Kaibei

PY - 2003/10

Y1 - 2003/10

N2 - The title compound {[Ca(CHZ)2(H2O)](NTO)2 · 3.5H2O}n was synthesized by using an aqueous solution of calcium 3-nitro-1,2,4-triazol-5-onate and carbohydrazide (CHZ, NH2NHCONHNH2). 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) nm3, Z = 8, dc = 1.727 g · cm-3, μ (Mo Ka) = 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.

AB - The title compound {[Ca(CHZ)2(H2O)](NTO)2 · 3.5H2O}n was synthesized by using an aqueous solution of calcium 3-nitro-1,2,4-triazol-5-onate and carbohydrazide (CHZ, NH2NHCONHNH2). 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) nm3, Z = 8, dc = 1.727 g · cm-3, μ (Mo Ka) = 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.

KW - Carbohydrazide (CHZ)

KW - Energetic Material

KW - Mining Application

KW - NTO

KW - X-Ray Diffraction

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U2 - 10.1002/prep.200300017

DO - 10.1002/prep.200300017

M3 - Article

AN - SCOPUS:0344035576

SN - 0721-3115

VL - 28

SP - 271

EP - 276

JO - Propellants, Explosives, Pyrotechnics

JF - Propellants, Explosives, Pyrotechnics

IS - 5

ER -

Preparation and Molecular Structure of {[Ca(CHZ)₂(H ₂O)](NTO)₂ · 3.5H₂O}_n

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