## Abstract The molecular configuration and crystal structure of solid polycrystalline __N__,__N__′′‐diacetylbiuret (DAB), a potential nitrogen‐rich fertilizer, have been analyzed by a combination of solid‐ and liquid‐state NMR spectroscopy, X‐ray diffraction, and DFT calculations. Initially a pure
X-ray diffraction studies of two azametallatranes. Peculiarities of structures of N,N′,N″-tris(trimethylsilyl)azametallatranes using DFT calculations
✍ Scribed by Pavel L Shutov; Sergey S Karlov; Klaus Harms; Daniil A Tyurin; Maxim V Zabalov; Andrei V Churakov; Judith A.K Howard; Jörg Lorberth; Galina S Zaitseva
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 169 KB
- Volume
- 689
- Category
- Article
- ISSN
- 0022-2860
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✦ Synopsis
Single crystal structures of N(CH 2 CH 2 NSiMe 3 ) 3 Si-Vinyl (1) and N(CH 2 CH 2 NSiMe 3 ) 3 Si-n-Butyl (2) were determined by X-ray diffraction studies: both compounds show weak transannular N ax ! M interactions (1, d(N ax ! Si) ¼ 2.712(1) A ˚, 2, d(N ax ! Ge) ¼ 2.743(3) A ˚). General trends for molecular structures of the group 14 elements (Si, Ge, Sn) azametallatranes are discussed with also included DFT calculations data.
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N,N 0 -Dimethylpiperazine mono-betaine (N-carboxymethyl-N,N 0 -dimethylpiperazinium inner salt, MBPZ) forms a crystalline complex with two molecules of 3-iodobenzoic acid (3IBA). The complex crystallizes as a monohydrate, MBPZ(3IBA) 2 H 2 O. The complex has been characterized by X-ray diffraction an