2-(2-Thienylmethyleneamino)isoindoline-1,3-dione

Abstract

Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.004 Å; R factor = 0.047; wR factor = 0.130; data-to-parameter ratio = 14.7.The asymmetric unit of the title compound, C 13 H 8 N 2 O 2 S, contains two independent molecules. The thiophene ring is planar [r.m.s. deviation = 0.0015 (5) Å ]. The r.m.s. deviation for the isoindoline group is 0.0195 (4) Å . The dihedral angle between the two planes is 12.9 (2) . The crystal structure is stabilized by weak intermolecular interactions to form a threedimensional network. Related literatureFor general background, see: Belloni et al. (2005); Kahwa et al. (1986); Parashar et al. (1988); Santos et al. (2001); Tynan et al. (2005).Experimental Crystal data C 13 H 8 N 2 O 2 S M r = 256.27 Monoclinic, P2 1 =c a = 8.4727 (15) Å b = 21.327 (4) Å c = 12.942 (2) Å = 90.740 (3) V = 2338.4 (7) Å 3 Z = 8 Mo K radiation = 0.27 mm À1 T = 294 (2) K 0.26 Â 0.22 Â 0.14 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.933, T max = 0.963 13313 measured reflections 4790 independent reflections 2978 reflections with I > 2(I) R int = 0.041 Refinement R[F 2 > 2(F 2 )] = 0.047 wR(F 2 ) = 0.130 S = 1.00 4790 reflections 325 parameters H-atom parameters constrained Á max = 0.20 e Å À3 Á min = À0.38 e Å À3Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Synthesis, characterization and anticancer activity of new 2-acetyl-5-methyl thiophene and cinnamaldehyde thiosemicarbazones and their palladium(II) complexes

“…The crystal data is given in Table 1. The bond lengths and bond angles (Table 2) of the four molecules in a unit cell are equal and are in agreement with values reported for analogous molecules, 1-(Thiophen-2-yl)ethanone TSC [41][42][43]. The TSC fragment is close to being planar with the maximum deviation from planarity being 0.0435 Å for atom C(1).…”