An electron density study of sodium sulfanilate dihydrate at 78 K

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Bats, J.W. (1977) An electron density study of sodium sulfanilate dihydrate at 78 K. Acta Crystallographica Section B: Structural crystallography and crystal chemistry, 33 . pp. 2035-2041. ISSN 0567-7408

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Abstract:The crystal structure of sodium sulfanilate dihydrate has been redetermined from single-crystal X-ray data collected at 78 K. Separate least-squares refinements were performed on the low-order data, the high-order data and the entire data set. The nonplanarity of the amino group has been reconfirmed. Difference density maps, based on the atomic parameters from the high-order refinement, are interpreted in terms of bonding effects. An analysis of the charge distribution led to net charges of -0.37 (4), +0-07 (4) and +0.15 (4) e for the sulfanilate group, Na atom and hydrate molecules respectively.
Item Type:Article
Copyright:© 1977 International Union of Crystallography
Link to this item:http://purl.utwente.nl/publications/59233
Official URL:http://dx.doi.org/10.1107/S0567740877007699
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