Synthesis, Crystal Structures and DFT Calculations of Two New Phenol-Based Ester Derivatives
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- 作者：Javeed A. Ganaie ; Jubin Kumar ; Ray J. Butcher…
- 关键词：Phenol ; based ester derivatives ; Crystal structure ; DFT geometry optimization calculations ; Frontier molecular orbitals
- 刊名：Journal of Chemical Crystallography
- 出版年：2016
- 出版时间：February 2016
- 年：2016
- 卷：46
- 期：2
- 页码：93-104
- 全文大小：1,629 KB
- 参考文献：1.Huang W, Pei J, Chen B, Pei W, Ye X (1996) Tetrahedron 52:10131–10136CrossRef
2.Gandhi SS, Bell KL, Gibson MS (1995) Tetrahedron 51:13301–13308CrossRef
3.Rather JB, Reid EE (1919) J Am Chem Soc 41:75–83CrossRef
4.Literak J, Dostalova A, Klan P (2006) J Org Chem 71:713–723CrossRef
5.Palaska E, Sahin G, Kelicen P, Durlu NT, Altinok G (2002) II Farmaco 57:101–107CrossRef
6.Wiesner J, Kettler K, Jomaa H, Schlitzer M (2002) Bioorg Med Chem Lett 12:543–545CrossRef
7.Hsieh HP, Liou JP, Lin YT, Mahindroo N, Chang JY, Yang YN, Chern SS, Tan UK, Chang CW, Chen TW, Lin CH, Chang YY, Wang CC (2003) Bioorg Med Chem Lett 13:101–105CrossRef
8.Belluti F, Bartolini M, Bottegoni G, Bisi A, Cavalli A, Andrisano V, Rampa A (2011) Eur J Med Chem 46:1682–1693CrossRef
9.Wyatt PG, Bethell RC, Cammack N, Charon D, Dodic N, Dumaitre B, Evans DN, Green DVS, Hopewell PL, Humber DC, Lamont RB, Orr DC, Plested SJ, Ryan DM, Sollis SL, Storer R, Weingarten GG (1995) J Med Chem 38:1657–1667CrossRef
10.Fenton H, Tidmash IS, Ward MD (2010) Dalton Trans 39:3805–3815CrossRef
11.Vigato PA, Tamburini S, Bartolo L (2007) Coord Chem Rev 251:1311–1492CrossRef
12.Gupta SK, Hitchock PB, Argal GS (2008) Inorg Chim Acta 361:2139–2146CrossRef
13.Gupta SK, Hitchock PB, Kushwah YS, Argal GS (2007) Inorg Chim Acta 360:2147–2152
14.Adams JM, Morsi SE (1976) Acta Cryst B32:1345–1347CrossRef
15.Gowda BT, Foro S, Babitha KS, Fuess H (2008) Acta Cryst E64:o844
16.Moreno-Fuquen R, Rendon M, Kennedy AR (2014) Acta Cryst E70:o194
17.Gowda BT, Tokarcik M, Kozisek J, Babitha KS, Fuess H (2008) Acta Cryst E64:o1280
18.Mahendra M, Doreswamy DH, Sridhar MA, Prasad JS, Khanum SA, Shashikanth S, Venu TD (2005) J Chem Cryst 35:463–467CrossRef
19.Begum B, Al-Ghorbani M, Sharma S, Gupta VK, Khanum SA (2013) Acta Cryst E69:o999–o1000
20.Fun H, Shahani T, Garudachari B, Isloor AM, Satyganarayan MN (2011) Acta Cryst E67:o1802
21.Allen FH (2002) Acta Cryst B58:380–388CrossRef
22.Das P, Biswas AN, Upreti S, Mandal PK, Bandyopadhyay P (2008) Acta Cryst E64:o676
23.Tamura K, Hori K (2000) Bull Chem Soc Jpn 73:843–850CrossRef
24.Tamura K, Uchida H, Hori K (1999) Mol Cryst Liq Cryst 330:201–206CrossRef
25.Hori K, Kerbo C, Okamoto H, Takenaka S (2001) Mol Cryst Liq Cryst 365:617–637CrossRef
26.Das P, Biswas AN, Acharya S, Chaudhury A, Bandyopadhyay P, Mandal PK, Upreti S (2009) Mol Cryst Liq Cryst 501:53–61CrossRef
27.Das P, Biswas AN, Acharya S, Choudhary A, Bandyopadhyay P, Mandal PK (2008) Liq Cryst 35:895–903CrossRef
28.Gupta SK, Hitchock PB, Kushwah YS (2002) Polyhedron 21:1787–1793CrossRef
29.Gupta SK, Anjana C, Sen N, Jasinski JP, Golen JA (2012) J Chem Crystallogr 45:193–201
30.Armarego WLF, Perrin DD (1997) Purification of labortory chemicals, 4th edn. Butterworth-Heinemann, Oxford
31.Agilent (2014) CrysAlisPRO. Agilent technologies, Yarnton
32.Palatinus L, Chapuis G (2007) J Appl Crystallogr 40:786–790CrossRef
33.Sheldrick GM (2015) Acta Cryst C71:3–8
34.Bruker (2006) SHELXTL. Bruker AXS Inc, Madison
35.Allen FH, Kennard O, Watson DG, Brammer L, Orpen AG, Taylor R (1987) J Chem Soc Perkin Trans 2:S1–19CrossRef
36.Schmidt JR, Polik WF(2007) Web MO Pro, version 8.0.01e; WebMO, LLC: Holland. http://www.webmo.net
37.Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomerym JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov JB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, revision C.02. Gaussian, Inc., Wallingford
38.Becke AD (1988) Phys Rev A 38:3098–3100CrossRef
39.Lee C, Yang W, Parr RG (1998) Phys Rev B 37:785–789CrossRef
40.Hehre WJ, Random L, Schleyer PR, Pople JA (1986) Ab initio molecular orbital theory. Wiley, New York
41.Pearl GM, Zerner MC, Broo A, McKelvey J (1998) J Compt Chem 19:781–796CrossRef
42.Guillaumont D, Nakamura S (2000) Dyes Pigm 46:85–92CrossRef
43.Holland JP, Barnard PJ, Bayly SR, Dilworth JR, Green JC (2009) Inorg Chim Acta 362:402–406CrossRef
44.Origin 8.0, OriginLab (2007) Northampton, MA
45.Dewar MJS, Hart LS (1970) Tetrahedron 26:973–1000CrossRef
46.Murashige R, Hayashi Y, Ohmori S, Torii A, Aizu Y, Muto Y, Murai Y, Oda Y, Hashimoto M (2011) Tetrahedron 67:641–649CrossRef
47.Adogla EA, Janser RFJ, Fairbanks SS, Vortolomei CM, Meka RK, Janser I (2012) Tetrahedron Lett 53:11–14CrossRef
48.Bernstein J, Davis RE, Shimoni L, Chang N-L (1995) Angew Chem Int Ed Engl 34:1555–1573CrossRef
49.Etter MC, Macdonald JC, Bernstein B (1990) Acta Crystallogr Sec B 46:256–262CrossRef
50.Pulkkinen JT, Laatikainen R, Ahlgren MJ, Perakyla M, Vepsalainen JJ (2000) J Chem Soc Perkin Trans 2:777–784CrossRef - 作者单位：Javeed A. Ganaie (1)
Jubin Kumar (1)
Ray J. Butcher (2)
Jerry P. Jasinski (3)
Sushil K. Gupta (1)
1. School of Studies in Chemistry, Jiwaji University, Gwalior, 474 011, India
2. Department of Chemistry, Howard University, 525 College Street NW, Washington, DC, 20059, USA
3. Department of Chemistry, Keene State College, 229 Main Street, Keene, NH, 03435-2001, USA - 刊物类别：Chemistry and Materials Science
- 刊物主题：Chemistry
Organometallic Chemistry
Crystallography
Physical Chemistry
Inorganic Chemistry - 出版者：Springer Netherlands
- ISSN：1572-8854
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