Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 2 (February 2008)

organic compounds

Acta Cryst. (2008). C64, o84-o86 [ doi:10.1107/S0108270108001170 ]

Two polymorphs of 4-propyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione

E. Sugiono and M. Bolte

Abstract: Two polymorphs of the title compound, C₁₆H₁₆O₃, have been obtained from the same solution. One polymorph, (I_m), crystallizes in the monoclinic space group P2₁, while the other, (I_o), crystallizes in the orthorhombic space group P2₁2₁2₁. The cell constants of the two polymorphs are surprisingly similar. Whereas the a and b axes are equal in the two structures, the c axis in (I_o) is twice as long as that in (I_m). The monoclinic angle [beta] is 95.084 (9)° compared with 90° in the orthorhombic crystal system. The cell volume of (I_m) is almost exactly half of the cell volume of (I_o). The packing motifs are also very similar in the two structures. However, whereas the molecules in (I_m) are related by a twofold screw axis just in the direction of the b axis, in (I_o) there are twofold screw axes along all three directions of the unit cell.

Formula: C₁₆H₁₆O₃


	Structure factor file (CIF format) (65.7 kbytes) [ doi:10.1107/S0108270108001170/sk3197Imsup2.hkl ] Contains datablock Im

	Structure factor file (CIF format) (69.1 kbytes) [ doi:10.1107/S0108270108001170/sk3197Iosup3.hkl ] Contains datablock Io

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search