<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Lakshmithendral K</submitter><funding>Department of Biotechnology , Ministry of Science and Technology</funding><pagination>1919-1922</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281121</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>74(Pt 12)</volume><pubmed_abstract>The title compounds, C&lt;sub>18&lt;/sub>H&lt;sub>15&lt;/sub>N&lt;sub>3&lt;/sub>O&lt;sub>4&lt;/sub> and C&lt;sub>17&lt;/sub>H&lt;sub>14&lt;/sub>ClN&lt;sub>3&lt;/sub>O&lt;sub>3&lt;/sub>, are heterocyclic 1,3,4-oxa-diazole derivatives which differ from each other in the groups attached to the carbon atoms: a meth-oxy-phenyl ring and a benzo-nitrile group in (I) and a chloro-phenyl ring and an acetamide group in (II). Short intra-molecular C-H⋯O hydrogen bonds occur in both mol-ecules. The crystal structure of (I) features C-H⋯N hydrogen bonds, while in the crystal structure of (II), N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds are observed.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pubmed_title>Crystal structures of 3-meth-oxy-4-{[5-(4-meth-oxy-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}benzo-nitrile and &lt;i>N&lt;/i>-(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide.</pubmed_title><pmcid>PMC6281121</pmcid><funding_grant_id>BT/PR16268/NER/95/183/2015</funding_grant_id><pubmed_authors>Kabilan S</pubmed_authors><pubmed_authors>Selvanayagam S</pubmed_authors><pubmed_authors>Archana K</pubmed_authors><pubmed_authors>Saravanan K</pubmed_authors><pubmed_authors>Lakshmithendral K</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structures of 3-meth-oxy-4-{[5-(4-meth-oxy-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}benzo-nitrile and &lt;i>N&lt;/i>-(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide.</name><description>The title compounds, C&lt;sub>18&lt;/sub>H&lt;sub>15&lt;/sub>N&lt;sub>3&lt;/sub>O&lt;sub>4&lt;/sub> and C&lt;sub>17&lt;/sub>H&lt;sub>14&lt;/sub>ClN&lt;sub>3&lt;/sub>O&lt;sub>3&lt;/sub>, are heterocyclic 1,3,4-oxa-diazole derivatives which differ from each other in the groups attached to the carbon atoms: a meth-oxy-phenyl ring and a benzo-nitrile group in (I) and a chloro-phenyl ring and an acetamide group in (II). Short intra-molecular C-H⋯O hydrogen bonds occur in both mol-ecules. The crystal structure of (I) features C-H⋯N hydrogen bonds, while in the crystal structure of (II), N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds are observed.</description><dates><release>2018-01-01T00:00:00Z</release><publication>2018 Dec</publication><modification>2026-07-09T12:01:30.607Z</modification><creation>2019-03-27T00:13:26Z</creation></dates><accession>S-EPMC6281121</accession><cross_references><pubmed>30574401</pubmed><doi>10.1107/S2056989018016754</doi></cross_references></HashMap>