8-Thia-1,6-diazabicyclo[4.3.0]nonane-7,9-dione
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TLDR
There are two independent molecules, A and B, in the asymmetric unit of the title compound, C6H8N2O2S, and pairs of intermolecular S⋯O contacts link the B molecules into inversion dimers.Abstract:
There are two independent molecules, A and B, in the asymmetric unit of the title compound, C6H8N2O2S. In the crystal, pairs of intermolecular S⋯O contacts [3.286 (1) A] link the B molecules into inversion dimers.read more
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A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
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A semi-empirical method of absorption correction
TL;DR: An extension of Furnas's method is described in this paper, where the variation of intensity of an axial reflection as the crystal is rotated about the goniometer axis is used to give a curve of relative transmission T against azimuthal angle ϕ for the corresponding reciprocal lattice level.
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Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds
TL;DR: The average lengths of bonds involving the elements H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and l in organic compounds are reported in this article.
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Carbonyl–Carbonyl Interactions can be Competitive with Hydrogen Bonds
TL;DR: The geometries and attractive energies of carbonyl-carbonyl interactions have been investigated using crystallographic data and ab initio molecular-orbital calculations in this paper.