The crystal structure of (E)-N′-(quinolin-2-ylmethylene)furan-2-carbohydrazide monohydrate, C₁₅H₁₃N₃O₃

Abstract

CCDC no.: 1577295The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materials0.156 g 2-naphthaldehyde (1.0 mmol) and 0.126 g 2-furan formylhydrazine (1.0 mmol) were dissolved in 10 mL 95% CH 3 CH 2 OH. The mixture was refluxed for 5 h. Then the solution was filtered. The colorless crystals of the title compound were obtained from the above filtrate by slow evaporation at room temperature for 5 days. Experimental detailsHydrogen atoms were added using riding models. Their U iso values were set to 1.2 U eq of the parent atoms. CommentHydrazone compounds and their complexes have been widely studied due to their facile synthesis and potential biological activities [4][5][6][7][8]. During recent years, many hydrazone compounds and their complexes have displayed extensive applications in luminescent probe, antibacterial, antitumor, fluorescence mark and anticonvulsant agents [9][10][11][12]. A series of hydrazone compounds and their complexes have been synthesized which show novel structure and luminescent properties [13][14][15]. The title compound has an almost coplanar configuration with a dihedral angle of 7.8°between the plane 1 (C1-C2-C3-C4-O1) and plane 2 (C6-C7-C8-C9-C10-C11). The crystal structure analysis shows that the title compound contains one water molecule in the structure. From the data of bond lengths, it can be seen that the C16-N1 bond length of 1.278(3) Å is shorter than that of C5-N2, indicating that the bond of C16-N1 is a double bond. And the C5-O2 bond length of 1.226(2) Å is shorter than those of C1-O1 and C4-O1, which indicates that the bond of C15-O2 is also a double bond. These findings are in excellent accordance with related compounds [16,17].

The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3

“…The molecular structure of 4-amino-N′-(4-aminobenzoyl) benzohydrazide is shown in the Figure. The compound consists of one 4-amino-N′-(4-aminobenzoyl) benzohydrazide monohydrate molecule and one water molecule. The bond distance of C-O is 1.241(3) Å (C7-O1), which is similar to the C-O bond length [13,14], indicating the C-O bond is double bond. The dihedral angle between two benzene rings ((C1-C2-C3-C4-C5-C6) and (C1A-C2A-C3A-C4A-C5A-C6A)) is 65.7°.…”