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(E)-1-(2,4-Dinitro-phen-yl)-2-pentyl-idenehydrazine.


ABSTRACT: The title compound, C(11)H(14)N(4)O(4), is essentially planar with an r.m.s. deviation for the 19 non-H atoms of 0.152?Å. The conformation about the C=N bond is E, and the mol-ecule has a U-shape as the butyl group folds over towards the aromatic system. An intra-molecular C-H?N inter-action occurs. The crystal packing is dominated by N-H?O hydrogen bonding and C-H?O contacts, leading to twisted zigzag supra-molecular chains along the c direction. The crystal packing brings two nitro O atoms into an unusually close proximity of 2.686?(4)?Å. While the nature of this inter-action is not obvious, there are several precendents for such short nitro-nitro O?O contacts of less than 2.70?Å in the crystallographic literature.

SUBMITTER: Neunfeldt PD 

PROVIDER: S-EPMC2979683 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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(E)-1-(2,4-Dinitro-phen-yl)-2-pentyl-idenehydrazine.

Neunfeldt Patrícia D PD   Duval Auri R AR   Cunico Wilson W   Wardell Solange M S V SM   Tiekink Edward R T ER   Wardell James L JL  

Acta crystallographica. Section E, Structure reports online 20100130 Pt 2


The title compound, C(11)H(14)N(4)O(4), is essentially planar with an r.m.s. deviation for the 19 non-H atoms of 0.152 Å. The conformation about the C=N bond is E, and the mol-ecule has a U-shape as the butyl group folds over towards the aromatic system. An intra-molecular C-H⋯N inter-action occurs. The crystal packing is dominated by N-H⋯O hydrogen bonding and C-H⋯O contacts, leading to twisted zigzag supra-molecular chains along the c direction. The crystal packing brings two nitro O atoms int  ...[more]

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