Crystal structure of 1,3-bis­(4-hexyl-5-iodo­thio­phen-2-yl)-4,5,6,7-tetra­hydro-2-benzo­thio­phene

نویسندگان

  • Julian Linshoeft
  • Christian Näther
  • Anne Staubitz
چکیده

In the crystal structure of the title compound, C28H36I2S3, a terthio-phene monomer, the central thio-phene unit is arranged anti-coplanar to the two outer thio-phene rings. There are two crystallographically independent mol-ecules in the asymmetric unit, which show different conformations. In one mol-ecule, the dihedral angles between the inner and the two outer thiophene rings are 15.7 (3) and 3.47 (3)°, whereas these values are 4.2 (3) and 11.3 (3)° for the second mol-ecule. Differences are also found in the arrangement of the hexyl chains: in one of the two molecules, both chains are nearly in plane to the central moiety, whereas in the second molecule, only one chain is in plane and the other one is nearly perpendicular to the central moiety. Some of the C atoms are disordered and were refined using a split model with occupancy ratios of 0.65:0.35 and 0.70:0.30 in the two mol-ecules.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

(3aRS,4SR,7RS,7aSR)-2-(Tricyclo­[3.3.1.13,7]decan-1-yl)-4,5,6,7-tetra­hydro-4,7-epoxy­isoindoline-1,3-dione

The title compound, C(18)H(23)NO(3), the adamantane derivative of norcantharidin, which is itself derived from cantharidin, crystallized with three independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O inter-actions, leading to the formation of a supra-molecular two-dimensional network.

متن کامل

Crystal structure of 2-amino-N-(2-fluoro­phen­yl)-4,5,6,7-tetra­hydro-1-benzo­thio­phene-3-carboxamide

In the title compound, C15H15FN2OS, the dihedral angle between the planes of the benzo-thio-phene ring system and the fluoro-benzene ring is 3.74 (14)°. The six-membered ring of the benzo-thio-phene moiety adopts a half-chair conformation. The mol-ecular conformation is consolidated by intra-molecular N-H⋯F and N-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds,...

متن کامل

1,3-Bis[4-(dimethyl­amino)benz­yl]-4,5,6,7-tetra­hydro-1H-1,3-diazepan-2-ium chloride

The title N-heterocyclic carbene derivative, C(23)H(33)N(4) (+)·Cl(-), has been synthesized and characterized by elemental analysis, (1)H and (13)C NMR, IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by three C-H⋯Cl inter-actions. The seven-membered 1,3-diazepane ring has a form inter-mediate between twist-chair and twist-boat.

متن کامل

Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis­(furan-2-yl)-4-hy­droxy-4-(thio­phen-2-yl)cyclo­hexane-1,3-di­yl]bis­(thio­phen-2-yl­methanone)

In the title compound, C28H22O5S3, the central cyclo-hexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclo-hexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hy-droxy group is disordered over two positions (at the 4- and 6-positions of the cyclo-hexane ring) in the ratio 0.832 (5):0.16...

متن کامل

4-{(4-Chloro­phen­yl)[4-(4-methyl­phen­yl)-1,2,3-selenadiazol-5-yl]meth­yl}-4,5,6,7-tetra­hydro-1,2,3-benzoselenadiazole

In the title compound, C(22)H(19)ClN(4)Se(2), the mean plane of the non-fused selenadiazole ring forms dihedral angles of 54.20 (16)° and 70.48 (11)°, respectively, with the essentially planar [maximum deviations of 0.025 (5) and 0.009 (2) Å, respectively] methyl-phenyl and chloro-phenyl substituents. The tetra-hydro-1,2,3-benzoselenadiazole group is disordered over two sets of sites with a ref...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 70  شماره 

صفحات  -

تاریخ انتشار 2014