Laboratory of Small Molecules & Macro Molecular Crystallography

Publications/ Patents

  1. Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate, Shaik, Althaf; Kirubakaran, Sivapriya and Thiruvenkatam, Vijay, , Acta Crystallographica Section E: Crystallographic Communications, DOI: 10.1107/S2056989017003127, vol. 73, no. 4, pp. 531-534,April. 2017
  2. Water-mediated inter­molecular inter­actions in 1,2-O-cyclo­hexyl­idene-myo-inositol: a qu­anti­tative analysis,Purushothaman, Gayathri; Juvale, Kapil; Kirubakaran, Sivapriya and Thiruvenkatam, Vijay, Acta Crystallographica Section C: Structural Chemistry, DOI: 10.1107/S2053229616018581, vol. 73, no. 1, Jan. 2017
  3. Analysis of intermolecular interactions in 2,3,5 Trisubstituted Pyrazoles derivatives: insights into crystal structures, Gaussian B3LYP/6-311G (d,p), PIXELC and Hirshfeld surface, Purushothaman, Gayathri and Thiruvenkatam, Vijay, , Journal of Chemical Crystallography, DOI: 10.1007/s10870-016-0667-6, vol. 46, no. 8, pp. 371-386, Sep. 2016.
  4. Structural investigation and in-silico characterization of Plasmepsins from Plasmodium falciparum, Nair, Divya N.; Singh, Vijay; Angira, Deekshi and Thiruvenkatam, Vijay, “”, Journal of Proteomics & Bioinformatics, DOI: 10.4172/jpb.1000405, vol. 9, no. 7, pp. 181-194, Jul. 2016.
  5. Prediction of horseshoe configuration in neural receptors: Dscam isoforms V. Thiruvenkatam, Q. Chen and J.-h. Wang Acta Cryst. 2014, A70, C1504
  6. Molecular interactions in bis (2-aminopyridinium) malonate: A crystal isostructural to bis (2-aminopyridinium) maleate crystal R. Chitra, R.R. Choudhury, Vijay Thiruvenkatam, M.V. Hosur, T.N. Guru Row J. Mol. Struct. 2012, 1010, 46
  7. Supramolecular Organization in Tetra Aqua (μ-8-Hydroxyquinoline-5-sulfonate) Barium (II) and Ag…I Interactions in a Pseudopolymorphic Form of (7-Iodo-8-hydroxyquinoline-5-sulfonate) Silver (I) Monohydrate Balasubramani, K., Hemamalini, M., Francis, S., Muthiah, P. Thomas, Vijay, T., T. N. Guru Row, Bocelli, G., Cantoni, A. J. Chem. Crystllogr. 2010, 40, 316
  8. Thiourea based novel chromogenic sensor for selective detection of fluoride and cyanide anions in organic and aqueous media. Kumar, Vinod, Kaushik, M. P., Srivastava, A. K., Pratap, Ajay, Thiruvenkatam, V., T. N. GuruRow  Analytica Chimica Acta 2010, 663, 77
  1. In situ cryo-crystallization of fluorinated amines: A comparative study of cooperative intermolecular interactions involving ordered and disordered fluorine Deepak Chopra, Vijay Thiruvenkatam, S.G. Manjunath, Tayur N. Guru Row Cryst. Growth Des. 2007, 7(5), 868
  2. A detailed study of the helical conformation in 2-aminothiazole derivatives V. Thiruvenkatam, T. N. Guru Row Acta Cryst. 2008, A64, C387
  3. 2-Ethoxy-4-methylphenyl p-toluenesulfonate G. Ramachandran, C. C. Kanakam, V. Manivannan, V. Thiruvenkatam and T. N. G. Row Acta Cryst. 2007, E63, o4638
  4. Hydrogen bonding in pyrimethamine hydrogen adipate P. Devi, P. T. Muthiah, T. N. G. Row and V. Thiruvenkatam Acta Cryst. 2007, E63, o4065
  5. Conformation and structure of bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate R. Chitra, V. Thiruvenkatam, R. R. Choudhury, M. V. Hosur and T. N. Guru Row Acta Cryst. 2007, C63, o11
  1. Variability in halogen interactions: In situ cryocrystallization of low melting substituted trifluoroacetophenones Deepak Chopra, Vijay Thiruvenkatam, Tayur N. Guru Row Cryst. Growth Des. 2006, 6(4), 843
  2. Bis(glycinium) oxalate: evidence of strong hydrogen bonding R. Chitra, V. Thiruvenkatam, R. R. Choudhury, M. V. Hosur and T. N. Guru Row Acta Cryst. 2006, C62, o274
  3. 1,3-Bis(4-methoxyphenyl)thiourea Shashidhar, V. Thiruvenkatam, S. A. Shivashankar, M. B. Halli and T. N. Guru Row Acta Cryst. 2006, E62, o1518
  4. Synthesis and Crystal Structure of a Chalcone Analog:(2E)-3-(3, 4-Dimethoxyphenyl)-1-(3-methyl-4-methoxyphenyl) prop-2-en-1-one R. S. Rothore, K. Subramanya, T. Narasimhamurthy, T. Vijay, H. G. Anilkumar, H. S. Yathirajan and Y. B. Basavaraju Analytical Science. 2006, 22, x111
  5. Ethyl 2-acetyl-3-anilinobutanoate S. Priya, S. Sinha, V. Vijayakumar, T. Narasimhamurthy, T. Vijay and R. S. Rathore Acta Cryst. 2006, E62, o5367
  6. 4-Methoxy-3-methylbenzophenone R. S. Rathore, T. Narasimhamurthy, T. Vijay, H. S. Yathirajan, H. G. Anilkumar and Y. B. Basavaraju Acta Cryst. 2006, E62, o1749
  7. Proton-bifurcated C-H…(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride R. S. Rathore, T. Narasimhamurthy, T. Vijay, H. S. Yathirajan and P. Nagaraja Acta Cryst. 2006, C62, o36
  1. 4-tert-Butyl-ϒ-chlorobutyrophenone Anilkumar, H. G, Vijay. T. Yathirajan, H. S. Narasimhamurthy, T. Rathore, R. S. Acta Cryst. 2005, E61, o3332
  2. 5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine T. Vijay, H. G. Anilkumar, H. S. Yathirajan, T. Narasimhamurthy and R. S Rathore Acta Cryst. 2005, E61, o3718
  3. Thionordazepam: strong intermolecular N-H…N hydrogen-bonded chains R. S. Narasegowda, T. Vijay. H. S. Yathirajan, P. Nagaraja, T. Narasimhamurthy and R.S. Rathore Acta Cryst. 2005, E61, o2934
  4. Intermolecularly associated carboxylic acid dimers in the supramolecular assembly of 2-(2-phenylethyl)benzoic acid Anilkumar, H. G. Yathirajan, H. S. Narasimhamurthy, T. Vijay, T. and Rathore, R. S. Acta Cryst. 2005, E61, o2704
  5. Hydrogen-bonding and C-H…π interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione (tetrahydrocurcumin) C. R. Girija, N. S. Begum, A. A. Syed and V. Thiruvenkatam Acta Cryst. 2004, C60, o611
  1. Kirubakaran, Sivapriya; Thiruvenkatam, Vijay; Hussain, Javeena; Purushotaman Gayathri and Bhoir, Siddhant, "Phosphate derivatives of Myo-Inositol as RAS inhibitors", Indian Patent Office, Patent Application No.: 201721020827, Jun. 14, 2017
  2. Kirubakaran, Sivapriya; Thiruvenkatam, Vijay; Shaik, Althaf and Bhakuni, Rashmi, "Substituted 1,2-Dihydro-3h-Pyrazolo[4,3-C]Quinolin-3-One as ATR Kinase Inhibitors", Indian Patent Office, Patent Application No.: 201621026397, Aug. 2, 2016
  3. Kirubakaran, Sivapriya; Thiruvenkatam, Vijay; Juvale, Kapil; Singh, Vijay; Purushothaman, Gayathri and Shaik, Althaf, "Pharmaceutical composition and process for preparing the same", Indian Patent Office, Patent Application No.: 201621024723, Jul. 19, 2016.