<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>66(Pt 5)</volume><submitter>Khan FN</submitter><pubmed_abstract>In the title mol-ecule, C(23)H(14)N(4), the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) Å and a maximum deviation of -0.030 (2) Å from the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol-ecules are linked by weak aromatic π-π inter-actions [centroid-centroid distance = 3.8074 (12) Å]. In addition, the crystal structure exhibits a nonclassical inter-molecular C-H⋯N hydrogen bond.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1081</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979274</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile.</pubmed_title><pmcid>PMC2979274</pmcid><pubmed_authors>Akkurt M</pubmed_authors><pubmed_authors>Hathwar VR</pubmed_authors><pubmed_authors>Khan FN</pubmed_authors><pubmed_authors>Manivel P</pubmed_authors><pubmed_authors>Prabakaran K</pubmed_authors></additional><is_claimable>false</is_claimable><name>4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile.</name><description>In the title mol-ecule, C(23)H(14)N(4), the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) Å and a maximum deviation of -0.030 (2) Å from the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol-ecules are linked by weak aromatic π-π inter-actions [centroid-centroid distance = 3.8074 (12) Å]. In addition, the crystal structure exhibits a nonclassical inter-molecular C-H⋯N hydrogen bond.</description><dates><release>2010-01-01T00:00:00Z</release><publication>2010 Apr</publication><modification>2025-04-04T14:42:29.995Z</modification><creation>2019-03-27T00:00:23Z</creation></dates><accession>S-EPMC2979274</accession><cross_references><pubmed>21579135</pubmed><doi>10.1107/S1600536810013012</doi></cross_references></HashMap>