TY - JOUR
T1 - Synthesis, crystal structure and relevant theoretical study of 5, 5'-azotetrazole-5-oxide pentahydrate
AU - Lin, Qiu Han
AU - Li, Yu Chuan
AU - Wang, Zhu
AU - Yu, Hong Xia
AU - Pang, Si Ping
PY - 2014/2
Y1 - 2014/2
N2 - 5, 5'-azotetrazole(2) was dissolved in distilled water reacted with an excess of diluted hydrochloric acid to produce 5-hydrazinotetrazolium chloride(3). 3 neutralized with sodium hydroxide to produce sodium 5, 5'-Azotetrazole-5-Oxide pentahydrate(4). The structures of 3 and 4 were characterized by MS, 1H NMR and 13C NMR techniques, and the crystal structures of 3 and 4 were determined by X-ray single crystal diffraction analysis, 3 belongs to Monoclinic system with space group P2(1)/n and a=0.438(2) nm, b=2.3956(2) nm, c=0.4936(2) nm, Z=4, V=0.546(4) nm3, Dc=1.659 g/cm3, F(000)=280; 4 belong to Triclinic system with space group P-1 and a=0.71581(19) nm, b=0.7663(2)nm, c=1.1933(4) nm, Z=2, V=0.6027(3) nm3, Dc=1.742 g/cm3, F(000)=324.
AB - 5, 5'-azotetrazole(2) was dissolved in distilled water reacted with an excess of diluted hydrochloric acid to produce 5-hydrazinotetrazolium chloride(3). 3 neutralized with sodium hydroxide to produce sodium 5, 5'-Azotetrazole-5-Oxide pentahydrate(4). The structures of 3 and 4 were characterized by MS, 1H NMR and 13C NMR techniques, and the crystal structures of 3 and 4 were determined by X-ray single crystal diffraction analysis, 3 belongs to Monoclinic system with space group P2(1)/n and a=0.438(2) nm, b=2.3956(2) nm, c=0.4936(2) nm, Z=4, V=0.546(4) nm3, Dc=1.659 g/cm3, F(000)=280; 4 belong to Triclinic system with space group P-1 and a=0.71581(19) nm, b=0.7663(2)nm, c=1.1933(4) nm, Z=2, V=0.6027(3) nm3, Dc=1.742 g/cm3, F(000)=324.
KW - Azotetrazole
KW - Crystal structure
KW - Energetic salts
KW - Oxide
UR - http://www.scopus.com/inward/record.url?scp=84898686132&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:84898686132
SN - 1001-0645
VL - 34
SP - 211-215+220
JO - Beijing Ligong Daxue Xuebao/Transaction of Beijing Institute of Technology
JF - Beijing Ligong Daxue Xuebao/Transaction of Beijing Institute of Technology
IS - 2
ER -