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Synthesis and structure determination of 7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole-3β-yl chloride (C29H47N4Cl)

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7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole-3β-yl chloride (C29H47N4Cl) was synthesized for its crystallographic analysis and to investigate the role of intra- and intermolecular interactions in steroids. It crystallizes in the monoclinic space group C2 with unit cell parameters: a = 38.481(2), b = 6.661(3), c = 11.111 (6) Å, β = 94.49 (4)o; λ( MoKα) = 0.71069 Å, V = 2839(2) Å3, and Z = 4. The structure has been solved by direct methods using X-ray diffraction techniques. The final reliability index for the computed structure is 0.0597 for 1252 observed reflections. Except the five-membered ring, all other rings of the steroid nucleus exist in non-planar conformations. The structure is stabilized by C–H···N intermolecular interaction.

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Acknowledgment

The corresponding author (Rajnikant) is thankful to the UGC, New Delhi for financial assistance under its DRS research project.

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Authors and Affiliations

  1. Condenced Matter Physics Group, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi, 180 006, India

      Rajnikant,   Dinesh & Nusrat Aziz

  2. Department of Chemistry, Aligarh Muslim University, Aligarh, 202 002, India

      Rajnikant, M. Mushfiq, Mahboob Alam & Azhar U. Khan

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  1.   Rajnikant
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  2.   Dinesh
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  3. Nusrat Aziz
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  4. M. Mushfiq
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Correspondence to   Rajnikant.

Additional information

Supplementary material CCDC-267926 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge at www.ccdc.cam.an.uk/uk/conts/retrieving.html or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, United Kingdom; Fax: $+$44(0) 1223-336033; e-mail: deposit@ccdc.cam.ac.uk.

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Rajnikant,  ., Dinesh,  ., Aziz, N. et al. Synthesis and structure determination of 7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole-3β-yl chloride (C29H47N4Cl). J Chem Crystallogr 36, 793–798 (2006). https://doi.org/10.1007/s10870-005-9024-x

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