Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid

被引：5
|
作者：
Bairagi, Keshab M. [1 ]
Pal, Priyanka [1 ]
Bhandary, Subhrajyoti [2 ]
Venugopala, Katharigatta N. [3 ,4 ]
Chopra, Deepak [2 ]
Nayak, Susanta K. [1 ]
机构：
[1] Visvesvaraya Natl Inst Technol, Dept Chem, Nagpur 440010, Maharashtra, India
[2] Indian Inst Sci Educ & Res Bhopal, Dept Chem, Bhopal 462066, Madhya Pradesh, India
[3] King Faisal Univ, Coll Clin Pharm, Dept Pharmaceut Sci, Al Hasa 31982, Saudi Arabia
[4] Durban Univ Technol, Dept Biotechnol & Food Technol, ZA-4001 Durban, South Africa
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
基金：
新加坡国家研究基金会;
关键词：
crystal structure; cocrystal; Hirshfeld surface; 2-chloro-5-nitrobenzoic acid; nicotinamide; PHARMACOKINETICS;
D O I：
10.1107/S2056989019013859
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title 1:1 cocrystal, C7H4ClNO4 center dot C6H6N2O, nicotinamide (NIC) and 2-chloro-5-nitrobenzoic acid (CNBA) cocrystallize with one molecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O-H center dot center dot center dot N, N-H center dot center dot center dot O and C-H center dot center dot center dot O interactions along with N-H center dot center dot center dot O dimer hydrogen bonds of NIC. Further additional weak pi-pi interactions stabilize the molecular assembly of this cocrystal.
引用
收藏
页码：1712 / +
页数：12
相关论文
共 50 条
  • [1] 2:1 complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine
    Ishida, H
    Rahman, B
    Kashino, S
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2001, 57 : 876 - 879
  • [2] Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid
    Gotoh, Kazuma
    Ishida, Hiroyuki
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2009, 65 : O534 - O538
  • [3] Crystal structures of four isomeric hydrogenbonded co-crystals of 6-methylquinoline with 2-chloro-4-nitrobenzoic acid, 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid and 4-chloro-2-nitrobenzoic acid
    Gotoh, Kazuma
    Ishida, Hiroyuki
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 1701 - +
  • [4] X-RAY STUDIES OF MOLECULAR OVERCROWDING .4. CRYSTAL AND MOLECULAR STRUCTURE OF 2-CHLORO-5-NITROBENZOIC ACID
    FERGUSON, G
    SIM, GA
    JOURNAL OF THE CHEMICAL SOCIETY, 1962, (MAY): : 1767 - &
  • [5] Thermal and spectral studies of light lanthanide complexes with 2-chloro-5-nitrobenzoic acid
    Ferenc, W
    Bocian, B
    Kunka, K
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1999, 38 (07): : 740 - 744
  • [6] Catalyst-free microwave-assisted amination of 2-chloro-5-nitrobenzoic acid
    Baqi, Younis
    Mueller, Christa E.
    JOURNAL OF ORGANIC CHEMISTRY, 2007, 72 (15): : 5908 - 5911
  • [7] Metal catalyst-free amination of 2-chloro-5-nitrobenzoic acid in superheated water
    Lan, Cong
    Xia, Zhi-Ning
    Li, Zheng-Hua
    Liang, Rong-Hui
    JOURNAL OF CHEMICAL RESEARCH, 2012, (12) : 726 - 728
  • [8] Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid-5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid 5-nitroquinoline (1/1)
    Gotoh, Kazuma
    Ishida, Hiroyuki
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1694 - +
  • [9] Supramolecular and computational analysis of Fluconazole-2-chloro-5-nitrobenzoic acid cocrystal
    Srijana, P. J.
    Narayana, B.
    Sarojini, B. K.
    Ramzi, Farah Diana Binti
    Quah, Ching Kheng
    Rajimon, K. J.
    Thomas, Renjith
    JOURNAL OF MOLECULAR STRUCTURE, 2025, 1321
  • [10] Syntheses, crystal structure, thermal behavior, and anti-tumor activity of three ternary metal complexes with 2-chloro-5-nitrobenzoic acid and heterocyclic compounds
    Zhang, Zhongyu
    Chen, Meng
    Tong, Mingqiong
    Sun, Wan
    Dong, Pingxuan
    Song, Xinfeng
    Wang, Xiaoyue
    HETEROCYCLIC COMMUNICATIONS, 2022, 28 (01) : 84 - 94
12345