Title of article
The crystal structure, supramolecular interplay and theoretical studies of helical dipyrrolophenanthroline
Author/Authors
حبيبي خراساني، سيد مصطفي نويسنده Habibi-Khorassani, Sayyed Mostafa , اكبرزاده ترابي، نيلوفر نويسنده Akbarzadeh-Torbati, Niloufar , شهركي، مهدي نويسنده , , رضواني، علي رضا 1337- نويسنده دانشگاه سيستان و بلوچستان- دانشكده علوم , , مقصودلو، ملك طاهر نويسنده Department of Chemistry, University of Sistan and Baluchestan, P.O. Box 98135-674, Zahedan, Iran Maghsoodlou, Malek Taher , پاك نهاد، علي نويسنده Paknahad, Ali , سراوان، حميده نويسنده Department of Chemistry, University of Sistan and Baluchestan, P.O. Box 98135-674, Zahedan, Iran Saravan, Hamideh
Issue Information
فصلنامه با شماره پیاپی 0 سال 2013
Pages
4
From page
995
To page
998
Abstract
The crystal structure of the hexamethyldipyrrolo [1, 2-a:2, 1–k][1,10] phenanthroline 7, 8, 9, 12, 13, 14-hexacarboxylate (helical) compound has been determined by single X-ray diffraction analysis, confirming the chiral and helical nature previously established by 1H and 13C NMR studies6. The compound crystallizes in the triclinic space group
1P
with the following unit-cell parameters: a = 7.7457 (7) ?, b = 11.7194 (7) ?, c = 15.5427 (9) ?, ?= 103.315 (5)°, B= 90.583 (6)°, ? = 101.659 (6)°, Z = 2 and V = 1342.25 (16) ?3. The final R value is 0.0541 for 7821 measured reflections. In addition quantum mechanical calculation has been preferment for confirmation of some experimental data.
Journal title
Iranian Journal of Organic Chemistry
Serial Year
2013
Journal title
Iranian Journal of Organic Chemistry
Record number
1969947
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