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In the title compound, the acenapthylene ring system and the hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar, making a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N—HO and N—HN), which generate S(6) and S(5) ring motifs.
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In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt an anti conformation. The chromene group is positioned trans, whereas the cyclohexyl ring lies in the cis position to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—HS hydrogen bonds, forming inversion dimers enclosing R22(8) ring motifs. The dimers are linked by C—HCl hydrogen bonds, enclosing R66(44) ring motifs, forming sheets lying parallel to (010).
data reports
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Crystal structure of (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbothioamide
In the title compound, C12H11N3O2S, the dihedral angle between the 4H-chromen-4-one ring system and the –CH=N—NH—CS—NH– unit is 6.22 (1)°. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(14) loops. The dimers are reinforced by a pair of C—HO interactions, which generate R22(10) loops.