3-(2-Ethoxyphenyl)-6-phenyl-1,2,4-triazolo[3,4- b ][1,3,4]thiadiazole

Key indicators: single-crystal X-ray study; T = 291 K; mean (C-C) = 0.003 Å; R factor = 0.019; wR factor = 0.051; data-to-parameter ratio = 14.0.The title complex, [CdCl 2 (C 10 H 8 N 4 S) 2 (CH 4 O) 2 ], a neutral mononuclear molecule, consists of a Cd II ion, two 6-methyl-3phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole ligands, two chloride ligands and two coordinated methanol molecules. The Cd II ion, located on a center of symmetry, displays a distorted octahedral coordination geometry. A supramolecular network structure is formed by intermolecular O-HÁ Á ÁCl hydrogen bonds andcontacts [centroidcentroid distance 3.613 (7) Å ].

“…For related literature, see: Fornies-Marquina et al (1974); Huang et al (2005); Molina et al (1989); Naveen et al (2006).…”

Section: Related Literaturementioning

confidence: 99%

Section: Sup-1mentioning

confidence: 99%

Dichloridobis(methanol-κO)bis(6-methyl-3-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole-κN¹)cadmium(II)

Hong

Song

2007

“…For related literature, see: Fornies-Marquina et al (1974); Huang et al (2005); Naveen et al (2006).…”

Section: Related Literaturementioning

confidence: 99%

“…Data collection: APEX2 (Bruker, 2004); 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, 1998); software used to prepare material for publication: SHELXTL. The molecular structure of 2-methyl-5-phenyl-s-triazolo(3,4-b)-1,3,4-thiadiazole (Fornies-Marquina et al, 1974) and its substituted derivatives (Huang et al, 2005;Naveen, et al, 2006) have been reported; however, no example of any metal complex of the ligand are known to date. In this paper, we present the crystal structure of the title compound As illustrated in Fig.…”

Section: Data Collectionmentioning

confidence: 99%

Dibromidobis(2-methyl-5-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazole-κN)nickel(II)

Wang

2007

Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.006 Å; R factor = 0.044; wR factor = 0.116; data-to-parameter ratio = 15.7.The title complex, [NiBr 2 (C 10 H 8 N 4 S) 2 ], is a mononuclear molecule consisting of an Ni II ion, two 2-methyl-5-phenyl-striazolo[3,4-b][1,3,4]thiadiazole ligands and two bromide ligands. The Ni II atom, located on a center of symmetry, displays a square-planar coordination geometry. Intermolecular C-HÁ Á ÁBr hydrogen bonds andcontacts [centroid-centroid distance = 3.58 (6) Å ] stabilize the supramolecular structure. Related literatureFor related literature, see: Fornies-Marquina et al. (1974); Huang et al. (2005); Naveen et al. (2006). Experimental Crystal data [NiBr 2 (C 10 H 8 N 4 S) 2 ] M r = 651.06 Triclinic, P1 a = 6.8286 (10) Å b = 8.5231 (13) Å c = 11.3654 (16) Å = 98.442 (2) = 105.614 (3) = 108.859 (2) V = 582.69 (15) Å 3 Z = 1 Mo K radiation = 4.47 mm À1 T = 298 (2) K 0.25 Â 0.20 Â 0.14 mm Data collectionBruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS;Sheldrick, 1996) T min = 0.37, T max = 0.53 4173 measured reflections 2383 independent reflections 1595 reflections with I > 2(I) R int = 0.101

“…For related literature, see: Fornies-Marquina et al (1974); Molina et al (1989); Huang et al (2005); Naveen et al (2006).…”

Section: Related Literaturementioning

confidence: 99%

Dibromidobis(6-methyl-3-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazole-κN¹)copper(II)

Liu

2007