(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one

dc.contributor.authorIsloor, A.M.
dc.contributor.authorMalladi, S.
dc.contributor.authorGerber, T.
dc.contributor.authorBrecht, B.V.
dc.contributor.authorBetz, R.
dc.date.accessioned2026-02-05T09:35:22Z
dc.date.issued2012
dc.description.abstractIn the title compound, C <inf>24</inf>H <inf>15</inf>Cl <inf>2</inf>N <inf>3</inf>O <inf>3</inf>, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online, 2012, 68, 3, pp. o616-o617
dc.identifier.issn16005368
dc.identifier.urihttps://doi.org/10.1107/S1600536812003960
dc.identifier.urihttps://idr.nitk.ac.in/handle/123456789/27047
dc.subjectdata-to-parameter ratio = 16.8
dc.subjectmean ?(C-C) = 0.002 Å
dc.subjectR factor = 0.030
dc.subjectsingle-crystal X-ray study
dc.subjectT = 200 K
dc.subjectwR factor = 0.086
dc.title(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one

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