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Title: Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.
Authors:
;  [1] ;  [2] ;  [3] ;  [1]
  1. Kharazmi (Tarbiat Moallem) University, Faculty of Chemistry (Iran, Islamic Republic of)
  2. Università di Messina, Dipartimento di Chimica Inorganica, Vill. S. Agata, Salita Sperone 31 (Italy)
  3. University of Isfahan, Faculty of Chemistry (Iran, Islamic Republic of)
Publication Date:
OSTI Identifier:
22311407
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 58; Journal Issue: 7; Other Information: Copyright (c) 2013 Pleiades Publishing, Inc.; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; DIOXANE; METHYL RADICALS; MOLECULES; MONOCLINIC LATTICES; MONOCRYSTALS; STRUCTURAL CHEMICAL ANALYSIS; UREA; X-RAY DIFFRACTION