<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Nesterov VV</submitter><funding>NCI NIH HHS</funding><pagination>o760-1</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099892</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>67(Pt 4)</volume><pubmed_abstract>In the title mol-ecule, C(20)H(17)Cl(2)NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter-molecular C-H⋯π inter-actions involving the benzene rings.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pubmed_title>3,5-Bis(4-chloro-benzyl-idene)-1-methyl-piperidin-4-one.</pubmed_title><pmcid>PMC3099892</pmcid><funding_grant_id>R01 CA120170</funding_grant_id><pubmed_authors>Nesterov VN</pubmed_authors><pubmed_authors>Sarkisov SS</pubmed_authors><pubmed_authors>Shulaev V</pubmed_authors><pubmed_authors>Nesterov VV</pubmed_authors></additional><is_claimable>false</is_claimable><name>3,5-Bis(4-chloro-benzyl-idene)-1-methyl-piperidin-4-one.</name><description>In the title mol-ecule, C(20)H(17)Cl(2)NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter-molecular C-H⋯π inter-actions involving the benzene rings.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Apr</publication><modification>2025-04-04T23:27:04.879Z</modification><creation>2019-03-26T23:59:22Z</creation></dates><accession>S-EPMC3099892</accession><cross_references><pubmed>21754057</pubmed><doi>10.1107/S1600536811006994</doi></cross_references></HashMap>