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The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate

หน่วยงาน Universiti Sains Malaysia, Malaysia

รายละเอียด

ชื่อเรื่อง : The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate
นักวิจัย : C. S., Chidan Kumar , Ai, Jia Sim , Weng, Zhun Ng , Tze, Shyang Chia , Loh, Wan Sin , Huey, Chong Kwong , Ching, Kheng Quah , S., Naveen , N. K., Lokanath , Warad, Ismail
คำค้น : QC1-999 Physics , QD1-999 Chemistry
หน่วยงาน : Universiti Sains Malaysia, Malaysia
ผู้ร่วมงาน : -
ปีพิมพ์ : 2560
อ้างอิง : http://eprints.usm.my/37249/1/(The_crystal_structure)_sj5531.pdf , C. S., Chidan Kumar and Ai, Jia Sim and Weng, Zhun Ng and Tze, Shyang Chia and Loh, Wan Sin and Huey, Chong Kwong and Ching, Kheng Quah and S., Naveen and N. K., Lokanath and Warad, Ismail (2017) The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate. Acta Crystallographica Section E: Crystallographic Communications, 73. pp. 927-931. ISSN 2056-9890
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : https://doi.org/10.1107/S2056989017007836 , http://eprints.usm.my/37249/
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

The asymmetric unit of the title compound, C15H15N3O3�0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (A and B) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)� in A and B, respectively. In the crystal, molecules are linked by N—H� � �O, O— H� � �O, C—H� � �O and C—H� � ��(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features �–� interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) A ° in A and 3.8182 (14) A ° in B].

บรรณานุกรม :
C. S., Chidan Kumar , Ai, Jia Sim , Weng, Zhun Ng , Tze, Shyang Chia , Loh, Wan Sin , Huey, Chong Kwong , Ching, Kheng Quah , S., Naveen , N. K., Lokanath , Warad, Ismail . (2560). The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate.
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia.
C. S., Chidan Kumar , Ai, Jia Sim , Weng, Zhun Ng , Tze, Shyang Chia , Loh, Wan Sin , Huey, Chong Kwong , Ching, Kheng Quah , S., Naveen , N. K., Lokanath , Warad, Ismail . 2560. "The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate".
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia.
C. S., Chidan Kumar , Ai, Jia Sim , Weng, Zhun Ng , Tze, Shyang Chia , Loh, Wan Sin , Huey, Chong Kwong , Ching, Kheng Quah , S., Naveen , N. K., Lokanath , Warad, Ismail . "The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate."
    กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia, 2560. Print.
C. S., Chidan Kumar , Ai, Jia Sim , Weng, Zhun Ng , Tze, Shyang Chia , Loh, Wan Sin , Huey, Chong Kwong , Ching, Kheng Quah , S., Naveen , N. K., Lokanath , Warad, Ismail . The crystal structure of zwitterionic 2-{[(4-iminiumyl- 3-methyl-1,4-dihydropyridin-1-yl)methyl]- carbamoyl}benzoate hemihydrate. กรุงเทพมหานคร : Universiti Sains Malaysia, Malaysia; 2560.