Explanipedia

CCDC 2001547: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, K. Rajkumar, S. Thirumurugan, K. Anbalagan, A. SubbiahPandi · 2020

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Tris(ethane-1,2-diamine-κ2 N,N′)zinc(II) tetrachloridozincate(II) Open

Y. AaminaNaaz, K. Rajkumar, Subramani Thirumurugan, K. Anbalagan, A. SubbiahPandi · 2020

The title complex, [Zn(C 2 H 8 N 2 ) 3 ][ZnCl 4 ], exists as discrete ions. The [Zn(C 2 H 8 N 2 ) 3 ] 2+ cation exhibits a distorted octahedral shape. In the [ZnCl 4 ] 2− anion, the Zn II atom is in an almost regular tetrahedral environmen…

Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate Open

A. SubbiahPandi, Y. AaminaNaaz, C.M. Mahalakshmi, K. Anbalagan · 2019

The hydrated title salt, [CoCl(C 6 H 6 FN)(C 2 H 8 N 2 ) 2 ]Cl 2 ·H 2 O, comprises of one chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) cation, two chloride counter-anions and a water molecule of crystallization. The Co III i…

CCDC 785047: Experimental Crystal Structure Determination Open

A. SubbiahPandi, Y. AaminaNaaz, C.M. Mahalakshmi, K. Anbalagan · 2019

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

5′-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3′-indolin]-2′-one Open

Y. AaminaNaaz, Jayabal Kamalraja, Paramasivan T. Perumal, A. SubbiahPandi · 2018

In the title compound, C 15 H 11 N 3 O 4 , the six-membered oxazine ring adopts a half-chair conformation and is oriented at an angle of 78.63 (9)° with respect to the pyrrolidine ring of the indoline ring system, which adopts an envelope …

CCDC 1585273: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, J. Kamalraja, Paramasivan T. Perumal, A. SubbiahPandi · 2018

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Chloridobis(ethane-1,2-diamine)(4H-1,2,4-triazole-κN1)cobalt(III) dichloride Open

Y. AaminaNaaz, Subramani Thirumurugan, D. Venkatesh, K. Anbalagan, A. SubbiahPandi · 2017

In the title complex, [Co III Cl(C 2 H 8 N 2 ) 2 (C 2 H 3 N 3 )]Cl 2 , the Co III ion has a distorted octahedral environment. It is surrounded by four N atoms in the equatorial plane, with another N atom and a Cl atom occupying the axial p…

Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate Open

Y. AaminaNaaz, Sathiyaraj Subramaniyan, S. Kalaimani, A. Sultan Nasar, A. SubbiahPandi · 2017

The asymmetric unit of the title compound, C 15 H 15 NO 2 , contains two independent molecules ( A and B ). The dimethylphenyl ring, the phenyl ring and the central carbamate N—C(=O)—O group are not coplanar. In molecule A , the dimethylph…

CCDC 1588721: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, S. Thirumurugan, D. Venkatesh, K. Anbalagan, A. SubbiahPandi · 2017

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1548793: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, Sathiyaraj Subramaniyan, S. Kalaimani, A. Sultan Nasar, A. SubbiahPandi · 2017

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

2-(5-Bromo-1H-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate Open

Y. AaminaNaaz, Jayabal Kamalraja, G. Vimala, Paramasivan T. Perumal, A. SubbiahPandi · 2016

In the title solvated compound, C 26 H 14 Br 2 ClN 3 O·C 2 H 6 OS, the indole ring is inclined to the central pyrrole ring by 25.7 (2)°. The chlorobenzene ring and the bromobenzene rings subtend dihedral angles of 56.5 (2) and 53.4 (2)°, r…

3′,6′-Bis(diethylamino)-2-(prop-2-ynyl)spiro[isoindoline-1,9′-xanthen]-3-one Open

Y. Aamina Naaz, Jothinathan Sathiya Savithri, Perumal Rajakumar, A. SubbiahPandi · 2016

In the title compound, C 31 H 33 N 3 O 2 , the spiropyrrolidine ring has a twisted conformation on the C spiro —N bond, whereas the tetrahydropyran ring adopts a sofa confirmation. The spiro joined fragments are almost orthogonal, with a d…

5-Benzoyl-2-(5-bromo-1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-pyrrole-3-carbonitrile Open

G. Vimala, J. Kamal Raja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

In the title compound, C 27 H 18 BrN 3 O, the indole and central pyrrole ring systems are inclined to one another by 13.15 (15)°. The carbonitrile group is almost coplanar with its attached pyrrole ring, the C[triple-bond]N bond making a d…

5,6-Dipropylphthalazino[2,3-a]cinnoline-8,13-dione Open

G. Vimala, Krishnan Soundararajan, Paramasivan T. Perumal, A. SubbiahPandi · 2016

In the title compound, C 22 H 22 N 2 O 2 , the two central fused pyridazine rings have screw-boat conformations and the dihedral angle between their mean planes is 36.22 (8)°. The mean plane of the cinnoline ring system makes a dihedral an…

5-Benzoyl-2-(5-bromo-1H-indol-3-yl)-4-(4-nitrophenyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate Open

Y. AaminaNaaz, Jayabal Kamalraja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

The title compound, C 26 H 15 BrN 4 O 3 ·C 2 H 6 OS, contains five rings. The indole unit is essentially planar [maximum deviation = 0.0067 (1) Å for the N atom]. The central pyrrole ring makes dihedral angles of 44.1 (2) and 51.3 (2)° wit…

5-(2-Hydroxybenzoyl)-1-methyl-3-nitropyridin-2(1H)-one Open

G. Vimala, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2016

In the title compound, C 13 H 10 N 2 O 5 , the dihedral angle between the pyridine and phenyl ring is 50.47 (2)°. The hydroxyl H and ketone O atoms form an intramolecular O—H...O hydrogen bond with the hydroxyl group almost coplanar with t…

5-Benzoyl-2-(1H-indol-3-yl)-4-(naphthalen-2-yl)-1H-pyrrole-3-carbonitrile Open

G. Vimala, J. Kamal Raja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

In the title compound, C 30 H 19 N 3 O, the indole and the naphthalene ring systems are inclined to the central pyrrole ring (r.m.s. deviation = 0.012 Å) by 29.09 (9) and 49.92 (9)°, respectively. The naphthalene ring system and the indole…

Crystal structures of methyl (E)-3-(2-chlorophenyl)-2-({2-[(E)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (E)-2-({4-chloro-2-[(E)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate Open

G. Vimala, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2016

The title compounds, C 19 H 16 ClNO 5 , (I), and C 19 H 15 Cl 2 NO 5 , (II), both crystallize in the monoclinic space group P 2 1 / n . They differ essentially in the orientation of the methyl acetate group, with the C=O bond directed towa…

CCDC 1477342: Experimental Crystal Structure Determination Open

G. Vimala, J. Kamal Raja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1495298: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, J. Kamalraja, G. Vimala, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1471048: Experimental Crystal Structure Determination Open

G. Vimala, J. Kamal Raja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1449405: Experimental Crystal Structure Determination Open

G. Vimala, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1471050: Experimental Crystal Structure Determination Open

G. Vimala, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1476079: Experimental Crystal Structure Determination Open

G. Vimala, S. Krishnan, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1449404: Experimental Crystal Structure Determination Open

G. Vimala, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1473319: Experimental Crystal Structure Determination Open

Y. AaminaNaaz, J. Kamalraja, Paramasivan T. Perumal, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1478907: Experimental Crystal Structure Determination Open

Y.A. Naaz, Jothinathan Sathiya Savithri, Perumal Rajakumar, A. SubbiahPandi · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Crystal structure of phenylN-(4-nitrophenyl)carbamate Open

Y. AaminaNaaz, Sathiyaraj Subramaniyan, S. Kalaimani, A. Sultan Nasar, A. SubbiahPandi · 2015

The asymmetric unit of the title compound, C 13 H 10 N 2 O 4 , contains two independent molecules ( A and B ). The dihedral angle between the aromatic rings is 48.18 (14)° in molecule A and 45.81 (14)° in molecule B . The mean plane of the…

Crystal structure of 3′-(1H-indole-3-carbonyl)-1′-methyl-2-oxo-4′-(4-oxo-4H-chromen-3-yl)spiro[indoline-3,2′-pyrrolidine]-3′-carbonitrile Open

M.P. Savithri, R. Raja, D. Kathirvelan, B. S. R. Reddy, A. SubbiahPandi · 2015

In the title compound, C 31 H 22 N 4 O 4 , the pyrrolidine ring adopts a twist conformation on the N—CH 2 bond. The indolin-2-one and the 1 H -indole rings are nearly planar (r.m.s. deviations = 0.06 and 0.011 Å, respectively) and are incl…

Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone Open

Rajamani Raja, Nataraj Poomathi, Paramasivan T. Perumal, A. SubbiahPandi · 2015

In the title compound, C 14 H 9 ClN 2 O 3 , the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine…

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