<HashMap><database>biostudies-literature</database><scores><citationCount>0</citationCount><reanalysisCount>0</reanalysisCount><viewCount>44</viewCount><searchCount>0</searchCount></scores><additional><omics_type>Unknown</omics_type><volume>71(Pt 8)</volume><submitter>Ezhilarasi KS</submitter><pubmed_abstract>The title compound, C12H18N2·0.5H2O, crystallizes with two independent organic mol-ecules (A and B) in the asymmetric unit, together with a water mol-ecule of crystallization. The diazepine rings in each mol-ecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in mol-ecule A and 17.42 (11)° in mol-ecule B. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯N hydrogen bonds, forming zigzag chains propagating along [001].</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>o570-1</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4571402</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra-hydro-1H-benzo[b][1,4]diazepine hemihydrate.</pubmed_title><pmcid>PMC4571402</pmcid><pubmed_authors>Akila A</pubmed_authors><pubmed_authors>Ponnuswamy S</pubmed_authors><pubmed_authors>Ezhilarasi KS</pubmed_authors><pubmed_authors>Revathi BK</pubmed_authors><pubmed_authors>Usha G</pubmed_authors><view_count>44</view_count></additional><is_claimable>false</is_claimable><name>Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra-hydro-1H-benzo[b][1,4]diazepine hemihydrate.</name><description>The title compound, C12H18N2·0.5H2O, crystallizes with two independent organic mol-ecules (A and B) in the asymmetric unit, together with a water mol-ecule of crystallization. The diazepine rings in each mol-ecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in mol-ecule A and 17.42 (11)° in mol-ecule B. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯N hydrogen bonds, forming zigzag chains propagating along [001].</description><dates><release>2015-01-01T00:00:00Z</release><publication>2015 Aug</publication><modification>2024-11-09T03:50:03.65Z</modification><creation>2019-03-27T01:58:28Z</creation></dates><accession>S-EPMC4571402</accession><cross_references><pubmed>26396802</pubmed><doi>10.1107/S2056989015013201</doi></cross_references></HashMap>