Search Results - "KRISHNAKUMAR, R. V"
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Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine-methyl (Cl-Me) exchange rule
Published in Acta crystallographica. Section C, Crystal structure communications (01-04-2013)“…The two new isomorphous structures [3‐methyl‐4‐(4‐methylphenyl)‐1‐phenyl‐6‐trifluoromethyl‐1H‐pyrazolo[3,4‐b]pyridin‐5‐yl](thiophen‐2‐yl)methanone,…”
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Redetermined crystal structure of N-(β-carb-oxy-eth-yl)-α-isoleucine
Published in Acta crystallographica. Section E, Crystallographic communications (01-09-2015)“…Redetermination of the crystal structure of N-(β-carb-oxy-eth-yl)-α-isoleucine, C9H18N2O3, reported earlier by Nehls et al. [Acta Cryst. (2013), E69,…”
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3
Crystal structure of [4-(2-meth-oxy-phen-yl)-3-methyl-1-phenyl-6-tri-fluoro-methyl-1H-pyrazolo-[3,4-b]pyridin-5-yl](thio-phen-2-yl)methanone
Published in Acta crystallographica. Section E, Structure reports online (01-09-2014)“…The title compound, C26H18F3N3O2S, a 2-meth-oxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays…”
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Single Crystal XRD, Hirshfeld Surface, Quantum Chemical and Molecular Docking Studies on Diethyl1-(4-Nitrobenzyl)-4-(4-Nitrophenyl)-2,2-Dioxooctahydro-2-Pyrrolo[2,1-c]1,2Thiazine-1,3-Dicarboxylate: a Novel HIV-1Inhibitor
Published in Polycyclic aromatic compounds (02-07-2024)“…The single crystal of the title compound Diethyl 1-(4-nitrobenzyl)-4-(4-nitrophenyl)-2,2-dioxooctahydro-2-pyrrolo[2,1-c] 1,4 thiazine-1,3-dicarboxylate was…”
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dl-Alanine
Published in Acta crystallographica. Section C, Crystal structure communications (01-05-2001)“…A determination of the structure of the title compound, C3H7NO2, leads to an accurate description of its molecular dimensions and crystal packing. As in the…”
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Glycine sodium nitrate
Published in Acta crystallographica. Section C, Crystal structure communications (01-10-2001)“…The glycine molecule in the title compound, Na(NO3)·C2H5NO2, exists in the zwitterionic form. The Na atom exhibits eightfold coordination and the polyhedron…”
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Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro–methyl exchange rule
Published in Acta crystallographica. Section E, Crystallographic communications (01-09-2018)“…Accurate studies on the effect of substituents on the crystal packing are essential for understanding the intermolecular interactions and thus paving the way…”
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8
Glycinium oxalate
Published in Acta crystallographica. Section C, Crystal structure communications (01-01-2001)“…In the title compound, C2H6NO2+·C2HO4−, the glycine molecule exists in the cationic form and the oxalic acid molecule in the mono‐ionized state. The…”
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l-Prolinium tartrate
Published in Acta crystallographica. Section C, Crystal structure communications (01-04-2001)“…In the title salt, C5H10NO2+·C4H5O6−, proline exists as a cation and the tartaric acid as a semi‐tartrate anion. The semi‐tartrate ions form hydrogen‐bonded…”
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10
Isomorphous diethyl 1-(4-chloro-benz-yl)-4-(4-chloro-phen-yl)-2,2-dioxo-3,4,6,7,8,8a-hexa-hydro-1H-pyrrolo-[2,1-c][1,4]thia-zine-1,3-di-carboxyl-ate and its 1-(4-methyl-benz-yl)-4-(4-methyl-phen-yl)-substituted analogue obeying the chloro-methyl exchange rule
Published in Acta crystallographica. Section E, Crystallographic communications (01-09-2018)“…Accurate studies on the effect of substituents on the crystal packing are essential for understanding the inter-molecular inter-actions and thus paving the way…”
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11
Supramolecular architectures of N-acetyl-L-proline monohydrate and N-benzyl-L-proline
Published in Acta crystallographica. Section C, Crystal structure communications (01-11-2013)“…The title compounds, N‐acetyl‐L‐proline monohydrate, C7H11NO3·H2O, (I), and N‐benzyl‐L‐proline, C12H15NO2, (II), crystallize in the monoclinic space group P21…”
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12
Sarcosinium tartrate
Published in Acta crystallographica. Section C, Crystal structure communications (01-02-2001)“…In the title compound, C3H8NO2+·C4H5O6−, the sarcosinium cation and semi‐tartrate anion are held together by a three‐dimensional network of O—H⃛O, N—H⃛O and…”
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13
Supramolecular sheets in (4H-chromeno[4,3-c]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K
Published in Acta crystallographica. Section C, Crystal structure communications (15-11-2012)“…The title compounds, (4H-chromeno[4,3-c]isoxazol-3-yl)methanol, C11H9NO3, (I), and (8-methyl-4H-chromeno[4,3-c]isoxazol-3-yl)methanol monohydrate,…”
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Crystal structures of 2′-benzoyl-1′-(4-methylphenyl)-1,1′,2,2′,5′,6′,7′,7a′-octahydrospiro[indole-3,3′-pyrrolizin]-2-one and 2′-(4-bromobenzoyl)-1′-(2-chlorophenyl)-1,1′,2,2′,5′,6′,7′,7a′-octahydrospiro[indole-3,3′-pyrrolizin]-2-one
Published in Acta crystallographica. Section E, Crystallographic communications (01-11-2016)“…The two title compounds, C 28 H 26 N 2 O 2 , (I), and C 27 H 22 BrClN 2 O 2 , (II), differ in their substituents, viz .4-methylphenyl and benzoyl rings in (I)…”
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Crystal structures of 2'-benzoyl-1'-(4-methyl-phenyl)-1,1',2,2',5',6',7',7a'-octa-hydro-spiro-[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromo-benzoyl)-1'-(2-chloro-phen-yl)-1,1',2,2',5',6',7',7a'-octa-hydro-spiro-[indole-3,3'-pyrrolizin]-2-one
Published in Acta crystallographica. Section E, Crystallographic communications (01-11-2016)“…The two title compounds, C H N O , (I), and C H BrClN O , (II), differ in their substituents, .4-methyl-phenyl and benzoyl rings in (I) replaced by…”
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16
Supramolecular networks in (9-fluoro-4H-chromeno[4,3-c]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K
Published in Acta crystallographica. Section C, Crystal structure communications (15-08-2012)“…The title compounds, (9-fluoro-4H-chromeno[4,3-c]isoxazol-3-yl)methanol, C11H8FNO3, (I), and (9-chloro-4H-chromeno[4,3-c]isoxazol-3-yl)methanol, C11H8ClNO3,…”
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17
1'-Benzylspiro-[chromene-2,4'-piperi-dine]-4-carbonitrile
Published in Acta crystallographica. Section E, Structure reports online (01-09-2012)“…In the title compound, C(21)H(20)N(2)O, the piperidine ring adopts a chair conformation while the pyran ring adopts a screw-boat conformation. The piperidine…”
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4-Cyano- N -ethylspiro[chromene-2,4′-piperidine]-1′-carboxamide
Published in Acta crystallographica. Section E, Structure reports online (01-01-2013)“…The title compound, C17H19N3O2, crystallizes with two independent molecules (A and B) in the asymmetric unit. In both molecules, the pyran ring has a twisted…”
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Synthesis and structural characterization of a calcium coordination polymer based on a μ3-bridging tetradentate binding mode of glycine
Published in Journal of chemical sciences (Bangalore, India) (2012)“…A new coordination polymer namely [[Ca 6 (H–gly) 12 (H 2 O) 18 ]Cl 12 ·6H 2 O] n ( 1 ) (H–gly = glycine) has been isolated from the calcium…”
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Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate
Published in Acta crystallographica. Section E, Structure reports online (01-09-2014)“…In the crystal structure of the title molecular salt, C 6 H 9 N 2 O 2 S + ·H 2 PO 4 − , the sulfomylalinium cations and the dihydrogen phosphate anions form…”
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