{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Lakshmithendral K"],"funding":["Department of Biotechnology , Ministry of Science and Technology"],"pagination":["1919-1922"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281121"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["74(Pt 12)"],"pubmed_abstract":["The title compounds, C<sub>18</sub>H<sub>15</sub>N<sub>3</sub>O<sub>4</sub> and C<sub>17</sub>H<sub>14</sub>ClN<sub>3</sub>O<sub>3</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."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"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 <i>N</i>-(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide."],"pmcid":["PMC6281121"],"funding_grant_id":["BT/PR16268/NER/95/183/2015"],"pubmed_authors":["Kabilan S","Selvanayagam S","Archana K","Saravanan K","Lakshmithendral K"],"additional_accession":[]},"is_claimable":false,"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 <i>N</i>-(4-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]meth-oxy}phen-yl)acetamide.","description":"The title compounds, C<sub>18</sub>H<sub>15</sub>N<sub>3</sub>O<sub>4</sub> and C<sub>17</sub>H<sub>14</sub>ClN<sub>3</sub>O<sub>3</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.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Dec","modification":"2026-07-09T12:01:30.607Z","creation":"2019-03-27T00:13:26Z"},"accession":"S-EPMC6281121","cross_references":{"pubmed":["30574401"],"doi":["10.1107/S2056989018016754"]}}