<HashMap><database>biostudies-literature</database><scores><citationCount>0</citationCount><reanalysisCount>0</reanalysisCount><viewCount>46</viewCount><searchCount>0</searchCount></scores><additional><omics_type>Unknown</omics_type><volume>68(Pt 7)</volume><submitter>Mukhtar A</submitter><pubmed_abstract>In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio-phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds between the tetra-hydro-1-benzothio-phene and the pyridine-4-carboxamide residues generate R(2) (2)(16) loops. There exists positional disorder in three methelene groups of the cyclo-hexane ring and the terminal C atom of the ethyl ester side chain in a 0.691 (14):0.309 (14) occupancy ratio.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o2041</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3393309</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.</pubmed_title><pmcid>PMC3393309</pmcid><pubmed_authors>Mukhtar A</pubmed_authors><pubmed_authors>Ather AQ</pubmed_authors><pubmed_authors>Sajid N</pubmed_authors><pubmed_authors>Tahir MN</pubmed_authors><pubmed_authors>Khan MA</pubmed_authors><view_count>46</view_count></additional><is_claimable>false</is_claimable><name>Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.</name><description>In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio-phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds between the tetra-hydro-1-benzothio-phene and the pyridine-4-carboxamide residues generate R(2) (2)(16) loops. There exists positional disorder in three methelene groups of the cyclo-hexane ring and the terminal C atom of the ethyl ester side chain in a 0.691 (14):0.309 (14) occupancy ratio.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Jul</publication><modification>2024-12-04T12:57:10.013Z</modification><creation>2019-03-27T00:55:27Z</creation></dates><accession>S-EPMC3393309</accession><cross_references><pubmed>22807866</pubmed><doi>10.1107/S1600536812025251</doi></cross_references></HashMap>