An electron density study of sodium sulfanilate dihydrate at 78 K

J.W. Bats

Research output: Contribution to journalArticleAcademic

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.
Original languageUndefined
Pages (from-to)2035-2041
JournalActa Crystallographica Section B: Structural crystallography and crystal chemistry
Volume33
DOIs
Publication statusPublished - 1977
Externally publishedYes

Keywords

  • IR-59233

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