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Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione

หน่วยงาน Universiti Sains Malaysia, Malaysia

รายละเอียด

ชื่อเรื่อง : Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione
นักวิจัย : Al-Omary, Fatmah A. M. , El-Emam, Ali A. , Ghabbour, Hazem A. , C. S., Chidan Kumar , Ching, Kheng Quah , Fun, Hoong Kun
คำค้น : QC1-999 Physics
หน่วยงาน : Universiti Sains Malaysia, Malaysia
ผู้ร่วมงาน : -
ปีพิมพ์ : 2558
อ้างอิง : http://eprints.usm.my/38583/1/Crystal_structure_of_3%2D[(4%2Dbenzylpiperazin%2D1%2Dyl)methyl]%2D5%2D(thiophen%2D2%2Dyl)%2D.pdf , Al-Omary, Fatmah A. M. and El-Emam, Ali A. and Ghabbour, Hazem A. and C. S., Chidan Kumar and Ching, Kheng Quah and Fun, Hoong Kun (2015) Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione. Acta Crystallographica Section E: Crystallographic Communications, 71. 0175-0176. ISSN 2056-9890
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : https://doi.org/10.1107/S2056989015002273 , http://eprints.usm.my/38583/
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

The title 1,3,4-oxadiazole-2-thione derivative, C18H20N4OS2, crystallized with two independent molecules (A and B) in the asymmetric unit. The 2-thienyl rings in both molecules are rotationally disordered over two orientations by approximately 180� about the single C—C bond that connects it to the oxadiazole thione ring; the ratios of site occupancies for the major and minor components were fixed in the structure refinement at 0.8:0.2 and 0.9:0.1 in molecules A and B, respectively. The 1,3,4-oxadiazole-2-thione ring forms dihedral angles of 7.71 (16), 10.0 (11) and 77.50 (12)� (molecule A), and 6.5 (3), 6.0 (9) and 55.30 (12)� (molecule B) with the major and minor parts of the disordered thiophene ring and the mean plane of the adjacent piperazine ring, respectively, resulting in approximately V-shaped conformations for the molecules. The piperazine ring in both molecules adopts a chair conformation. The terminal benzene ring is inclined towards the mean plane of the piperazine ring with N—C— C—C torsion angles of �58.2 (3) and �66.2 (3)� in molecules A and B, respectively. In the crystal, no intermolecular hydrogen bonds are observed. The crystal packing features short S� � �S contacts [3.4792 (9) A ° ] and �–� interactions [3.661 (3), 3.664 (11) and 3.5727 (10) A ° ], producing a threedimensional network.

บรรณานุกรม :
Al-Omary, Fatmah A. M. , El-Emam, Ali A. , Ghabbour, Hazem A. , C. S., Chidan Kumar , Ching, Kheng Quah , Fun, Hoong Kun . (2558). Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione.
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia.
Al-Omary, Fatmah A. M. , El-Emam, Ali A. , Ghabbour, Hazem A. , C. S., Chidan Kumar , Ching, Kheng Quah , Fun, Hoong Kun . 2558. "Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione".
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia.
Al-Omary, Fatmah A. M. , El-Emam, Ali A. , Ghabbour, Hazem A. , C. S., Chidan Kumar , Ching, Kheng Quah , Fun, Hoong Kun . "Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione."
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia, 2558. Print.
Al-Omary, Fatmah A. M. , El-Emam, Ali A. , Ghabbour, Hazem A. , C. S., Chidan Kumar , Ching, Kheng Quah , Fun, Hoong Kun . Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)- 2,3-dihydro-1,3,4-oxadiazole-2-thione. กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia; 2558.