Abstract
In the title compound, C20H14N4O2, molecules are linked into chains by N—H⋯O hydrogen bonds, but the cyano group does not participate in the supramolecular aggregation. The crystal structure of the compound indicates the presence of a double bond with Z geometry, connecting the imidazolidine and indole units. The dihedral angle between the imidazole and benzene ring planes is 62.45 (4)°.
Highlights
C20H14N4O2, molecules are linked into chains by N—HÁ Á ÁO hydrogen bonds, but the cyano group does not participate in the supramolecular aggregation
Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 and local procedures. This investigation was supported by NIH/National Cancer Institute grant PO1 CA104457 and by NSF MRI grant CHE 0319176
Symmetry codes: (i) −x+3/2, −y+1/2, −z+1; (ii) −x+1, −y, −z+1
Summary
Narsimha Reddy Penthala,a Thirupathi Reddy Yerram Reddy,a Sean Parkinb and Peter A. Key indicators: single-crystal X-ray study; T = 90 K; mean (C–C) = 0.002 A; R factor = 0.034; wR factor = 0.088; data-to-parameter ratio = 12.8. C20H14N4O2, molecules are linked into chains by N—HÁ Á ÁO hydrogen bonds, but the cyano group does not participate in the supramolecular aggregation. The crystal structure of the compound indicates the presence of a double bond with Z geometry, connecting the imidazolidine and indole units. Related literature For 2-indol-3-yl-methylenequinuclidin-3-ols NADPH oxidase activity, see: Sekhar et al (2003). For the molecular structures of di- and triindolylmethanes, see: Mason et al (2003). For the structures of 1Hindole-3-ethylene-30-methoxysalicylaldimine and 3-[30-azapentyl-30-en-40-(200-hydroxyphenyl)]indole, see: Zarza et al (1988)
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