Herbst-Irmer, Regine

[["dc.bibliographiccitation.firstpage","363"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Acta Crystallographica / B"],["dc.bibliographiccitation.lastpage","373"],["dc.bibliographiccitation.volume","50"],["dc.contributor.author","Heine, Andreas"],["dc.contributor.author","Herbst-Irmer, Regine"],["dc.contributor.author","Stalke, Dietmar"],["dc.contributor.author","Kühnle, Wolfgang"],["dc.contributor.author","Zachariasse, Klaas A."],["dc.date.accessioned","2009-07-03T12:36:17Z"],["dc.date.accessioned","2021-10-27T13:12:07Z"],["dc.date.available","2009-07-03T12:36:17Z"],["dc.date.available","2021-10-27T13:12:07Z"],["dc.date.issued","1994"],["dc.description.abstract","The amino N atom in 4-aminobenzonitrile (ABN) and 4-(dimethylamino)benzonitrile (DMABN) has a pyramidal character, with values of 34(3) and 11.9 (3) c~, respectively, for the angle between the planes of the amino group and the phenyl ring. In 3,5-dimethyl-4-(dimethylamino)benzonitrile (MMD) at 173 K, the dimethylamino group is twisted over an angle of 59.3 (2) \"~ with respect to the phenyl plane. In addition, the amino N(1) atom is not located in the plane of the phenyl ring, with an out-of-plane displacement of 0.117 (5)/~. The N-phenyl bond length in MMD of 1.414 (3)/~ is larger that that in the four other aminobenzonitriles, for which an average bond length of 1.367,~ is found. With DMABN, the crystal structure consists of stacks with an alternating orientation of the molecules. In the crystals of ABN, 3,5-dimethyl-4-(methylamino)benzonitrile (MHD) and 4-amino-3,5-dimethylbenzonitrile (HHD), hydrogen bonding is an important structural element. In ABN and MHD, hydrogen bonds are formed between an amino H atom and the cyano N atom of adjacent molecules. In HHD, each H atom is linked to a cyano N atom of two different neighbouring molecules, in a layered structure consisting of squares and octagons. Temperature-dependent solid-solid phase transitions are observed with all five aminobenzonitriles studied here. Crystals of the low-temperature phase could only be obtained from ABN, with lattice constants which are considerably different from those observed at room temperature."],["dc.format.mimetype","application/pdf"],["dc.identifier.doi","10.1107/S0108768193008523"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?goescholar/3406"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/91660"],["dc.language.iso","en"],["dc.notes.intern","Migrated from goescholar"],["dc.relation.orgunit","Fakultät für Chemie"],["dc.rights","Goescholar"],["dc.rights.access","openAccess"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.subject","anorganische Chemie"],["dc.subject.ddc","540"],["dc.title","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1927"],["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","Journal of the Chemical Society. Chemical communications"],["dc.bibliographiccitation.lastpage","1731"],["dc.contributor.author","Heine, Andreas"],["dc.contributor.author","Herbst-Irmer, Regine"],["dc.contributor.author","Stalke, Dietmar"],["dc.date.accessioned","2009-07-03T10:56:36Z"],["dc.date.accessioned","2021-10-27T13:12:03Z"],["dc.date.available","2009-07-03T10:56:36Z"],["dc.date.available","2021-10-27T13:12:03Z"],["dc.date.issued","1993"],["dc.description.abstract","The title compound is obtained from the reaction of (Me3Si)3SiLi(thf)3 with CuBr in n-hexane and structurally characterised by X-ray diffraction; in [Cu2R2BrLi(thf)3], R = Si(SiMe3)3 one silyl ligand is bridging a very short Cu–Cu bond, resulting in a three-centre two-electron bond, while the second is terminally bound to copper; the other copper atom is linked to a lithium atom via a Cu Br Li bridge."],["dc.format.mimetype","application/pdf"],["dc.identifier.doi","10.1039/C39930001729"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?goescholar/3391"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/91654"],["dc.language.iso","en"],["dc.notes.intern","Migrated from goescholar"],["dc.relation.orgunit","Fakultät für Chemie"],["dc.rights","Goescholar"],["dc.rights.access","openAccess"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.subject","anorganische Chemie"],["dc.subject.ddc","540"],["dc.title","[Cu2R2BrLi(thf)3], R = Si(SiMe3)3–a complex containing five-coordinate silicon in a three-centre two-electron bond (thf = tetrahydrofuran)"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]