RESUMO
The title compound, C16H14BrN3O5, is a novel halogen (Br) substituted hydrazine derivative. The hydrazine derivatives were the group of compounds with the general structure, R1R2C=NNH2 (Uppal et al., 2011 â¸), with the central RC=NNH2 moiety bridging two different groups on both sides. An all-trans configuration of the backbone (RC=NNH2) results in an extended mol-ecular conformation. The dihedral angle between the 5-bromo-2-meth-oxy-phenyl ring and the nitrophenyl ring is 4.4â (3)°. Intra-molecular N-Hâ¯O inter-actions form S(6) graph-set motifs, while C-Hâ¯O and C-Hâ¯N inter-actions form S(5) graph-set motifs. Symmetry-related mol-ecules are linked by C-Hâ¯O inter-molecular inter-actions forming an R21(10) graph-set motif. There are nearly face-to-face directional specific π-π stacking inter-actions between the centroids of the nitrophenyl ring and the benzene ring of the 5-bromo-2-meth-oxy group [centroid-centroid distance = 3.6121â (5)â Å and slippage = 1.115â Å], which also contributes to the mol-ecular packing. The Hirshfeld surface analysis was performed in order to visualize, explore and qu-antify the inter-molecular inter-actions in the crystal lattice of the title compound.
RESUMO
The title co-crystal, 0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3), arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947â (2) and 0.053â (2) for H and Cl, respectively. The mol-ecular structure is stabilized by intra-molecular C-Hâ¯O contacts, forming pseudo five- and six-membered rings with S(5) and S(6) graph-set motifs, respectively. The crystal structure features π-π stacking inter-actions between the centroids of the central fused ring systems [centroid-centroid distance = 3.501â (2)â Å].
RESUMO
The benzene rings in the title compound, C(20)H(22)O(3), form a dihedral angle of 10.39â (8)°. Overall, the mol-ecule is approximately planar with the exception of one of the terminal methyl groups; excluding this group, the r.m.s. deviation for the remaining 22 non-H atoms is 0.0968â Å. The conformation about the C=C bond is E, and an intra-molecular O-Hâ¯O hydrogen bond leads to the formation of an S(6) motif. In the crystal, linear supra-molecular chains are formed along the a axis via C-Hâ¯O contacts, and these are connected into double chains via C-Hâ¯π inter-actions.