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(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(4-fluoro-phen-yl)ethyl-idene]hydrazine.

ABSTRACT: The title compound, C(14)H(11)FN(4)O(4), crystallizes with two essentially planar mol-ecules in the asymmetric unit; the dihedral angles between the benzene rings are 1.57?(15) and 6.17?(15)°. In each mol-ecule, an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?F inter-actions into sheets lying parallel to (120). O?C [2.980?(4)?Å] and O?N [2.892?(3)?Å] short contacts also occur.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3275075 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(4-fluoro-phen-yl)ethyl-idene]hydrazine.

Fun Hoong-Kun HK Nilwanna Boonlerd B Chantrapromma Suchada S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

The title compound, C(14)H(11)FN(4)O(4), crystallizes with two essentially planar mol-ecules in the asymmetric unit; the dihedral angles between the benzene rings are 1.57 (15) and 6.17 (15)°. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯F inter-actions into sheets lying parallel to (120). O⋯C [2.980 (4) Å] and O⋯N [2.892 (3) Å] short contacts also occur. ...[more]

PMID: 22347020

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(E)-1-(2,4-Dinitro-phen-yl)-2-(2-fluoro-benzyl-idene)hydrazine.

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Project description:There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(14)N(4)O(5), with different conformations for the meth-oxy groups. The mol-ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol-ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro-benzene plane being 0.0310 (3) Å in one mol-ecule and 0.0650 (3) Å in the other. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions and stacked along the a axis through π-π inter-actions, with centroid-centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.

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Project description:The mol-ecule of the title hydrazone derivative, C(14)H(11)FN(4)O(4), is nearly planar, with a dihedral angle between the benzene rings of 3.71?(7)°. The central ethyl-idenehydrazine N-N=C-C plane makes dihedral angles of 5.32?(10) and 9.02?(10)° with the 2,4-dinitro- and 3-fluoro-substituted benzene rings, respectively. An intra-molecular N-H?O bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H?O inter-actions into a sheet parallel to (10-1). The mol-ecules are further stacked along the a axis by ?-? inter-actions with centroid-centroid distances of 3.6314?(9) and 3.7567?(10)?Å. A C?F short contact [2.842?(3)?Å] is observed. The 3-fluoro-phenyl group is disordered over two orientations with a site-occupancy ratio of 0.636?(3):0.364?(3).

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Project description:In the title compound, C(13)H(9)ClN(4)O(4), there are two crystallographically independent mol-ecules in the asymmetric unit, which have very similar conformations. The C=N-N angles in each independent mol-ecule are 115.0?(2) and 116.6?(2)°, which are significantly smaller than the ideal value of 120° expected for sp(2)-hybridized N atoms. This is probably a consequence of repulsion between the nitro-gen lone pairs and the adjacent N-N bonds. Two bifurcated intra-molecular N-H?O hydrogen bonds help to establish the mol-ecular conformation and consolidate the crystal packing.

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