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organic compounds
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In the crystal structure of the title compound, C14H12Cl3NO2, no classical hydrogen-bonding interactions are observed. The methylene fragments of the benzyl groups participate in non-classic hydrogen-bond interactions with the carbonyl O atoms of neighboring molecules, generating co-operative centrosymmetric dimers with R55(10) ring motifs. The overall molecular arrangement in the unit cell seems to be highly influenced by secondary non-covalent weak C—Cl
π [ClCg(phenyl ring) = 3.732 (2) Å] and C—Oπ [OCg(pyrrolidine ring) = 2.985 (2) Å] contacts.
π [ClCg(phenyl ring) = 3.732 (2) Å] and C—Oπ [OCg(pyrrolidine ring) = 2.985 (2) Å] contacts. organic compoundsOpen access
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The molecule of the title compound, C9H7IN4OS, is almost planar (r.m.s. deviation = 0.0373 Å). In the molecule, N—HN and N—HO hydrogen bonds generate, respectively, S(5) and S(6) ring motifs. In the crystal, molecules are linked via N—HO hydrogen bonds, forming chains propagating along [010]. These chains are linked via SI contacts [3.4915 (16) Å], forming sheets lying parallel to (100). A region of disordered electron density, probably a disordered tetrahydrofuran solvent molecule, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and unit-cell characteristics were not taken into account during refinement.
N and N—HO hydrogen bonds generate, respectively, S(5) and S(6) ring motifs. In the crystal, molecules are linked via N—HO hydrogen bonds, forming chains propagating along [010]. These chains are linked via SI contacts [3.4915 (16) Å], forming sheets lying parallel to (100). A region of disordered electron density, probably a disordered tetrahydrofuran solvent molecule, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and unit-cell characteristics were not taken into account during refinement.
