caa a22 4500 463184998 CHVBK 20180406164850.0 cr unu---uuuuu 170326e20070201xx s 000 0 eng 10.1007/s10870-006-9163-8 doi (NATIONALLICENCE)springer-10.1007/s10870-006-9163-8 X-ray crystal structures of new chiral enaminones from 2,4-pentanedione and their heterocyclic derivatives [Elektronische Daten] [M. Concepción Lozada, Raúl G. Enríquez, Manuel Soriano-García, Rubén Toscano, Dino Gnecco] New chiral enaminones from 2,4-pentanedione (1, 4) and their 1,4-oxazepinium and 1,4-thiazepinium derivatives (5-7) were synthesized and their crystal structures were determined by single crystal X-ray diffraction studies. The crystallographic data for these compounds are as follows: (R)-(1-Methyl-3-oxo-but-1-enylamino)-phenylacetic acid methyl ester (1): a=7.574(1)Å, b=12.530(1)Å, c=14.245(1)Å, P212121. (R)-4-(2-hydroxy-1-phenyl-ethylamino)-pent-3-en-2-one (2): a=5.543(1)Å, b=9.433(1)Å, c=12.237(2)Å, β=100.687(3)°, P21. (2S, 3R)-3-hydroxy-2-(1-methyl-3-oxobut-1-enylamine) butyric acid methyl ester (3): a=5.583(1)Å, b=8.660(1)Å, c=12.149(1)Å, α=92.85(1)°, β=91.00(1)°, γ=90.16(1)°, P1. (R)-3-[2-Methoxycarbonyl-2-(1-methyl-3-oxo-butylideneamino)-ethyldisulfanyl]-2-(1-methyl-3-oxo-butylideneamino)-propionic acid methyl ester (4): a=9.309(1)Å, b=11.460(1)Å, c=11.310(1)Å, β=112.582(2)°,P21.(3R)-5,7-dimethyl-3-phenyl-2,3-dihydro-[1,4]oxazepinium trifluoroborate (5): a=8.958(1)Å, c=18.085(1)Å, P43. (2S, 3R)-3-methoxycarbonyl-2, 5,7-trimethyl-2, 3-dihydro-[1,4] oxazepin-4-ium trifluroborate (6): a=8.626(1)Å, b=11.597(1)Å, c=13.733(19)Å, P212121. 3-Methoxycarbonyl-5, 7-dimethyl-2, 3-dihydro- [1,4]-thiazepin-4-ium trifluoroborate (7): a=13.737(1)Å, b=6.244(1)Å, c=16.041(1)Å, β=104.927(2)°, P21/n. Springer Science+Business Media, LLC, 2006 oxazepinium nationallicence thiazepinium nationallicence chiral heterocyclic derivatives nationallicence chiral enaminones nationallicence Concepción Lozada M. Departamento de sistemas biológicos, UAM-Xochimilco, Calzada del Hueso 1100 Col. Villa Quietud, 04960, Coyoacán,, D. F, México, aut Enríquez Raúl G. Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut Soriano-García Manuel Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut Toscano Rubén Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut Gnecco Dino Centro de Química, Instituto de Ciencias, BUAP, 72000, Puebla, México aut Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/2(2007-02-01), 119-133 1074-1542 37:2<119 2007 37 10870 https://doi.org/10.1007/s10870-006-9163-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-006-9163-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Concepción Lozada M. Departamento de sistemas biológicos, UAM-Xochimilco, Calzada del Hueso 1100 Col. Villa Quietud, 04960, Coyoacán,, D. F, México aut NATIONALLICENCE 700 1- Enríquez Raúl G. Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut NATIONALLICENCE 700 1- Soriano-García Manuel Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut NATIONALLICENCE 700 1- Toscano Rubén Instituto de Química, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacán, 04510,, Coyoacán,, D. F, México aut NATIONALLICENCE 700 1- Gnecco Dino Centro de Química, Instituto de Ciencias, BUAP, 72000, Puebla, México aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/2(2007-02-01), 119-133 1074-1542 37:2<119 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer