Crystal Structure Of (3e)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345(2)Å] is E, with the ketone moiety almost coplanar [C-C-C-C torsion angle = 9.5(2)°] along with the phenyl ring [C-C-C-C = 5.9(2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66(7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 4.2(2)°], whereas the one in the ortho position is twisted [O-N-C-C = 138.28(13)°]. The molecules associate via C-H⋯O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro-nitro N⋯O interactions [2.8461(19)Å] connect the chains into layers that stack along [001].709o1051o1052Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.L., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G., Spagna, R., (1999) J. Appl. Cryst, 32, pp. 115-119Brandenburg, K., (2006) DIAMOND, , Crystal Impact GbR, Bonn, Germany(2009) APEX2 and SAINT, , Bruker Bruker AXS Inc., Madison, Wisconsin, USA(2010) ChemAxon, , http://www.chemaxon.com, MarvinsketchDaszkiewicz, M., (2013) CrystEngComm, 15, pp. 10427-10430Farrugia, L.J., (2012) J. Appl. Cryst, 45, pp. 849-854Gans, J., Shalloway, D., (2001) J. Mol. Graph. Mode, 119, pp. 557-559De Paula, B.R.S., Zampieri, D.S., Rodrigues, J.A.R., Moran, P.J.S., (2013) Tetrahedron Asymmetry, 24, pp. 973-981Rodrigues, J.A.R., Moran, P.J.S., Conceicaõ, G.J.A., Fardelone, L.C., (2004) Food Technol. Biotechno, 142, pp. 295-303Sheldrick, G.M., (1996) SADABS, , University of Göttingen, GermanySheldrick, G.M., (2008) Acta Cryst A, 64, pp. 112-122Westrip, S.P., (2010) J. Appl. Cryst, 43, pp. 920-925Zukerman-Schpector, J., Maganhi, S.H., Moran, P.J.S., De Paula, B.R.S., Nucci, P.R., Tiekink, E.R.T., (2014) Acta Cryst. e, 70, pp. o1020-o102

Crystal Structure Of (3e)-3-[(4-nitrophenoxy) Methyl]-4-phenylbut-3-en-2-one

In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348(2)Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2(2)°] but the phenyl group twisted away [C-C-C-C = 160.93(17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61(9)°] giving the molecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supramolecular helical chains along the b axis. These are connected by π-π interactions between benzene and phenyl rings [inter-centroid distance = 3.6648(14)Å], resulting in the formation of a supramolecular layer in the bc plane.709o1020o1021Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.L., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G., Spagna, R., (1999) J. Appl. Cryst32, pp. 115-119Brandenburg, K., (2006) DIAMOND, , Crystal Impact GbR, Bonn, Germany(2009) APEX2 and SAINT, , Bruker Bruker AXS Inc., Madison, Wisconsin, USA(2010) Marvinsketch, , http://www.chemaxon.com, ChemaxonFarrugia, L.J., (2012) J. Appl. Cryst45, pp. 849-854De Paula, B.R.S., Zampieri, D.S., Rodrigues, J.A.R., Moran, P.J.S., (2013) Tetrahedron: Asymmetry24, pp. 973-981Rodrigues, J.A.R., Moran, P.J.S., Conceicaõ, G.J.A., Fardelone, L.C., (2004) Food Technol. Biotechnol42, pp. 295-303Sheldrick, G.M., (1996) SADABS, , University of Göttingen, GermanySheldrick, G.M., (2008) Acta Cryst A64, pp. 112-122Westrip, S.P., (2010) J. Appl. Cryst43, pp. 920-92

(μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis

The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2-CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxylate-O atoms, the CdII ion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl- anion and an aqua ligand to define a distorted octahedral CdClN2O3 coordination geometry with the monodentate ligands being mutually cis. The disparity in the Cd-N bond lengths is related to the relative trans effect exerted by the Cd-O bonds formed by the carboxylate-O and aqua-O atoms. The packing features water-O-H⋯O(carboxylate) and benzene-1,2-diamine-N-H⋯Cl hydrogen bonds, leading to layers that stack along the a-axis direction. The lack of directional interactions between the layers is confirmed by a Hirshfeld surface analysis

Crystal structure of the steroid 3-ethoxyandrosta-3,5-dien-17-one, C 21H30O2

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Crystal structure of 2,2′-bipyridyl adduct of bis(dibutyldithiocarbamato)zinc(II), [Zn(S2CNBu2)2(bipy)]

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Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?

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Gold derivatives for the treatment of cancer

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Adventures in crystal engineering

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Crystal structure of the 1,10-phenanthroline adduct of chloro-(di-n-butyl-dithiocarbamato)mercury(II), C21H26ClHgN3S2

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