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Crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine.


ABSTRACT: The crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine, C15H9N3S2 (1), and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-b]pyrazine, C15H8BrN3S2 (2), are discussed. Both mol-ecules crystallize in space group P21/c. In 1, the thienyl rings are inclined to the mean plane of the pyrido-pyrazine moiety by 6.16?(7) and 86.66?(8)°, where as in 2 the corresponding dihedral angles are 33.29?(11) and 19.84?(9)°. The pyrido-pyrazine moiety is relatively planar in 1 with the two rings being inclined to each other by 1.33?(7)°. In 2, however, the pyrido-pyrazine moiety is buckled with the corresponding dihedral angle being larger at 8.78?(10)°. In the crystal of 1, the packing creates inter-secting bilayers; the layering results from the pyrido-pyrazine moieties being engaged in offset ?-stacking, where the inter-planar distance is 3.431?(9)?Å with an offset 1.14?Å. In the crystal of 2, the mol-ecules pack head-to-head and are linked by a series of C-H?Br and C-H?N inter-molecular inter-actions, forming layers parallel to the ab plane.

SUBMITTER: Popek R 

PROVIDER: S-EPMC6323875 | biostudies-other | 2019 Jan

REPOSITORIES: biostudies-other

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Crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-<i>b</i>]pyrazine.

Popek Rafal R   Crundwell Guy G  

Acta crystallographica. Section E, Crystallographic communications 20190101 Pt 1


The crystal structures of 2,3-bis-(thio-phen-2-yl)pyrido[2,3-<i>b</i>]pyrazine, C<sub>15</sub>H<sub>9</sub>N<sub>3</sub>S<sub>2</sub> (<b>1</b>), and 7-bromo-2,3-bis-(thio-phen-2-yl)pyrido[2,3-<i>b</i>]pyrazine, C<sub>15</sub>H<sub>8</sub>BrN<sub>3</sub>S<sub>2</sub> (<b>2</b>), are discussed. Both mol-ecules crystallize in space group <i>P</i>2<sub>1</sub>/<i>c</i>. In <b>1</b>, the thienyl rings are inclined to the mean plane of the pyrido-pyrazine moiety by 6.16 (7) and 86.66 (8)°, where as i  ...[more]

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