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Crystal structures of 2,5-di-azido-1,4-phenyl-ene di-acetate and 2,5-di-azido-1,4-phenyl-ene dibutyrate.

Glöcklhofer F, Fröhlich J, Stöger B, Weil M - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The asymmetric units of the title compounds, C10H8N6O4, (I), and C14H16N6O4, (II), each contain half of the respective mol-ecule which is completed by inversion symmetry.The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II).The di-azido-phenyl-ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II).

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Affiliation: Institute of Applied Synthetic Chemistry, Vienna University of Technology, Getreidemarkt 9/163, A-1060 Vienna, Austria.

ABSTRACT
The asymmetric units of the title compounds, C10H8N6O4, (I), and C14H16N6O4, (II), each contain half of the respective mol-ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II). The di-azido-phenyl-ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II). In the crystals of both (I) and (II), there are no significant inter-molecular inter-actions present.

No MeSH data available.


A view along [100] of the crystal packing of compound (I). Colour code: O red, C grey, N light-blue and H white.
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fig3: A view along [100] of the crystal packing of compound (I). Colour code: O red, C grey, N light-blue and H white.

Mentions: There are no notable features in terms of π–π stacking inter­actions or hydrogen bonding in either structure. The crystal packing of (I) and (II) seems to be dominated mainly by van der Waals forces (Figs. 3 ▶ and 4 ▶, respectively).


Crystal structures of 2,5-di-azido-1,4-phenyl-ene di-acetate and 2,5-di-azido-1,4-phenyl-ene dibutyrate.

Glöcklhofer F, Fröhlich J, Stöger B, Weil M - Acta Crystallogr Sect E Struct Rep Online (2014)

A view along [100] of the crystal packing of compound (I). Colour code: O red, C grey, N light-blue and H white.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120540&req=5

fig3: A view along [100] of the crystal packing of compound (I). Colour code: O red, C grey, N light-blue and H white.
Mentions: There are no notable features in terms of π–π stacking inter­actions or hydrogen bonding in either structure. The crystal packing of (I) and (II) seems to be dominated mainly by van der Waals forces (Figs. 3 ▶ and 4 ▶, respectively).

Bottom Line: The asymmetric units of the title compounds, C10H8N6O4, (I), and C14H16N6O4, (II), each contain half of the respective mol-ecule which is completed by inversion symmetry.The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II).The di-azido-phenyl-ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II).

View Article: PubMed Central - HTML - PubMed

Affiliation: Institute of Applied Synthetic Chemistry, Vienna University of Technology, Getreidemarkt 9/163, A-1060 Vienna, Austria.

ABSTRACT
The asymmetric units of the title compounds, C10H8N6O4, (I), and C14H16N6O4, (II), each contain half of the respective mol-ecule which is completed by inversion symmetry. The two molecules differ in the ester moiety (acetate versus butyrate) and the crystal symmetry is different, i.e. triclinic for (I) and monoclinic for (II). The di-azido-phenyl-ene moieties are essentially planar [maximum deviation of 0.0216 (7) Å for (I) and 0.0330 (14) Å for (II)], and the ester functionalities are almost perpendicular to these planes, making dihedral angles of 79.93 (3)° for (I) and 79.42 (6)° for (II). In the crystals of both (I) and (II), there are no significant inter-molecular inter-actions present.

No MeSH data available.