Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3Electronic supplementary information (ESI) available: Crystallographic data, bond distances and angles, dihydrogen bond distance, and XRD pattern. CCDC 882868-882869. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2cc33621a

The crystal structures of an inorganic butane analogue, NH 3 BH 2 NH 2 BH 3 (DDAB), were determined using single crystal X-ray diffraction, revealing both anti and gauche conformations. The anti conformation is stabilized by intermolecular dihydrogen bonds in the crystal whereas two gauche conformat...

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Main Authors Chen, Xuenian, Gallucci, Judith, Campana, Charles, Huang, Zhenguo, Lingam, Hima Kumar, Shore, Sheldon G, Zhao, Ji-Cheng
Format Journal Article
LanguageEnglish
Published 16.07.2012
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Summary:The crystal structures of an inorganic butane analogue, NH 3 BH 2 NH 2 BH 3 (DDAB), were determined using single crystal X-ray diffraction, revealing both anti and gauche conformations. The anti conformation is stabilized by intermolecular dihydrogen bonds in the crystal whereas two gauche conformations of DDAB observed in its 18-crown-6 adducts are stabilized by an intramolecular dihydrogen bond. The two gauche conformations show rotational isomerization but whether they are a pair of enantiomers is yet to be defined. Structural analysis demonstrates intermolecular dihydrogen bonds stabilize anti form and an intramolecular dihydrogen bond stabilizes the gauche conformer of NH 3 BH 2 BH 2 NH 3 .
Bibliography:10.1039/c2cc33621a
For ESI and crystallographic data in CIF or other electronic format see DOI
Electronic supplementary information (ESI) available: Crystallographic data, bond distances and angles, dihydrogen bond distance, and XRD pattern. CCDC
882868-882869
ISSN:1359-7345
1364-548X
DOI:10.1039/c2cc33621a