caa a22 4500 463184084 CHVBK 20180406164847.0 cr unu---uuuuu 170326e20070601xx s 000 0 eng 10.1007/s10870-006-9167-4 doi (NATIONALLICENCE)springer-10.1007/s10870-006-9167-4 Syntheses and crystal structures of two isomeric pyrazoles with ferrocenyl groups [Elektronische Daten] [Yao-Cheng Shi, Chun-Xia Sui, Hong-Jian Cheng, Bei-Bei Zhu] Ferrocenoylacetone I reacts with terephthaloyl hydrazide in the presence of a catalytic amount of p-toluenesulfonic acid to afford complex 1 whereas acylation of 3(5)-ferrocenyl-5(3)-methylpyrazole II with terephthaloyl chloride leads to an isomer of complex 1, viz. complex 2. Two new complexes have been characterized by elemental analyses and IR,1HNMR, UV spectra and structurally characterized by single-crystal X-ray crystallography. Complex 1 (C36H30Fe2N4O2) crystallizes in the monoclinic space group P21/c, with lattice constants: a=11.593(2)Å, b=12.9962(17)Å, c=10.0030(17)Å, β=113.227(4)°, V=1462.1(4)Å3, Z=4, D c=1.505g·cm−3, F(000)=684, R 1=0.0307, wR 2=0.0739. Complex 2 (C36H30Fe2N4O2) crystallizes in the monoclinic space group P21/n, with lattice constants: a = 12.2388(18)Å, b=7.3200(15)Å, c=17.288(4)Å, β=90.89(3)°, V=1466.9(5)Å3, Z=2, D c=1.500g·cm−3, F(000)=684, R 1=0.0410, wR 2=0.1247. Springer Science+Business Media, LLC, 2007 ferrocenoylacetone nationallicence hydrazide nationallicence pyrazole nationallicence acylation nationallicence X-ray crystallography nationallicence Shi Yao-Cheng School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut Sui Chun-Xia School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut Cheng Hong-Jian School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut Zhu Bei-Bei School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/6(2007-06-01), 407-413 1074-1542 37:6<407 2007 37 10870 https://doi.org/10.1007/s10870-006-9167-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-006-9167-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Shi Yao-Cheng School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut NATIONALLICENCE 700 1- Sui Chun-Xia School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut NATIONALLICENCE 700 1- Cheng Hong-Jian School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut NATIONALLICENCE 700 1- Zhu Bei-Bei School of Chemistry, Yangzhou University, 225002, Yangzhou, P. R. China aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/6(2007-06-01), 407-413 1074-1542 37:6<407 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer