تهیه و بررسی ساختار بلوری فسفینیک آمید جدید تک انانتیومر (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)]: آنالیز سطح هیرشفلد

نوع مقاله : مقاله پژوهشی

نویسندگان

1 گروه شیمی، دانشکده علوم، دانشگاه فردوسی مشهد

2 انجمن فیزیک فرهنگستان علوم چک، اسلوانس 2، 18221 پراگ 8، جمهوری چک

چکیده

در این پژوهش، ترکیب کایرال جدید N-(1-پاراتولیل(اتیل))-P < /span>،P < /span>-دی فنیل فسفینیک آمید،
(C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)] تهیه و الگوی پراش پرتوی X تک­بلور آن بررسی شد. این ترکیب در سامانه بلوری راستگوشی با گروه فضایی کایرال P < /span>212121، 4 واحد فرمولی در یاخته یکه (4Z = ) و ثابت­های شبکه
Å (5)400/23 = α، Å (3)870/13 =  b و  Å (2)301/11 = c متبلور می­شود. واحد بی­تقارن شامل دو مولکول مستقل تقارنی است که بیشترین تفاوت را در زوایای پیچشی N−C−C−C مربوط به آمین کایرال نشان می­دهند. در ساختار بلوری، یک آرایش‌ سه­بعدی از اتصال مولکول‌­ها با پیوندهای هیدروژنی P = N−H∙∙∙O ، P = C−H∙∙∙O و C−H∙∙∙π ایجاد می­شود. سطح هیرشفلد و نمودار دو­بعدی اثر انگشتی برای بررسی برهمکنش­‌های موجود در ساختار و طیف­های جذبی فرابنفش و دورنگ نمایی چرخشی بررسی شدند.

کلیدواژه‌ها

عنوان مقاله [English]

Synthesis and crystal structure study of a new single-enantiomer phosphinicamide, (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)]: Hirshfeld surface analysis

نویسندگان [English]

  • Maliheh Khorramaki 1
  • Mehrdad Pourayoubi 1
  • Morgane Poupon 2
1 Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
2 Institute of Physics of the Czech Academy of Science, Na Slovance 2, 182 21 Prague 8, Czech Republic
چکیده [English]

In this research, the preparation of single crystal X-ray diffraction analysis of a new chiral compound of N-(1-paratolyl(ethyl))-P,P-diphenylphosphinicamide, (C6H5)2P(O)[NH-(S)-(–)CH(CH3)(C6H4-4-CH3)] are reported. This compound is crystallized in the orthorhombic crystal system with chiral space group  , Z = 4, a = 23.400 (5) Å, b = 13.870 (3) Å and c = 11.301 (2) Å. The asymmetric unit consists of two symmetry-independent phosphinicamide molecules, which show the greatest difference in the N—C—C—C torsion angles related to the chiral amine. In the crystal structure, a three-dimensional arrangement of molecules is created by the N—H…O═P, C—H…O═P and C—H…π hydrogen bonds. The Hirshfeld surface (HS) analysis and two-dimensional fingerprint plots were studied to investigate the interactions in the structure. The ultraviolet absorption and rotational circular dichroism spectra were measured.

کلیدواژه‌ها [English]

  • Phosphinicamide
  • crystal structure
  • Single-Enantiomer
  • Hirshfeld surface analysis
  • Fingerprint Plots

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مجله بلورشناسی و کانی شناسی ایران
دوره 33، شماره 1 - شماره پیاپی 97
فروردین 1404
صفحه 161-168

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  • تاریخ دریافت: 10 مرداد 1403
  • تاریخ بازنگری: 20 شهریور 1403
  • تاریخ پذیرش: 14 مهر 1403

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