{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 1)"],"submitter":["Meng FW"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o222"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3254555"],"abstract":["In the title compound, C(12)H(6)F(2)N(2)O(2), the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012?(2)?Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51?(9)°. In the crystal, N-H?N hydrogen bonds link the mol-ecules into chains running along the a axis. ?-? stacking is also observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7527?(13)?Å."],"repository":["biostudies-other"],"pmcid":["PMC3254555"],"data_source":["Europe PMC"],"pubmed_authors":["Gao JS","Meng FW","Yu YH","Hou GF"],"additional_accession":[]},"is_claimable":false,"name":"4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile.","description":"In the title compound, C(12)H(6)F(2)N(2)O(2), the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012?(2)?Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51?(9)°. In the crystal, N-H?N hydrogen bonds link the mol-ecules into chains running along the a axis. ?-? stacking is also observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7527?(13)?Å.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jan","modification":"2019-03-26T23:59:37Z","creation":"2019-03-26T23:59:37Z"},"accession":"S-EPMC3254555","cross_references":{"pubmed":["22259504"],"doi":["10.1107/S1600536811054523 "]}}