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155 citations found for Kumar, R
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The asymmetric unit of the title compound, C26H12ClNO6, consists of two independent molecules. The central pyran rings and both the 1-benzopyran ring systems are nearly planar in both molecules [r.m.s. deviations of pyan rings = 0.0264 (1) and 0.0326 (1) Å for molecules A and B, respectively; r.m.s. deviations of benzopyran rings = 0.0439 (1) and 0.0105 (1) for molecule A, 0.0146 (1) and 0.0262 (1) Å for molecule B]. In the crystal, the molecules are linked by C—H
O, N—HO and C—Hπ interactions.
O, N—HO and C—Hπ interactions.organic compoundsOpen access
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In the title compound, C21H13ClO, the central anthracene system is distorted towards a boat conformation and the outer rings are not coplanar with the central ring [dihedral angles = 7.79 (1) and 11.90 (1)°]. The crystal structure features inversion dimers with graph-set motif R22(18) formed by C—HO interactions.
O interactions.organic compoundsOpen access
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In the title compound, C40H34N2O2, the central piperidine ring adopts a half-chair conformation and the fused pyrrolidine rings adopt twisted envelope (with the C atom bearing the methylphenyl ring as the flap atom) and envelope (with the C atom bound to the N atom, common to the pyridinone and pyrrolidine rings being the flap atom) conformations. The molecular structure features weak intramolecular N—HO and C—HO interactions. In the crystal, O—HO hydrogen bonds generate a C(7) chain along the b-axis direction. C—HO interactions also occur.
O and C—HO interactions. In the crystal, O—HO hydrogen bonds generate a C(7) chain along the b-axis direction. C—HO interactions also occur.organic compoundsOpen access
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In the title compound, C26H12FNO6, the central pyran ring and both benzopyran systems are nonplanar, having total puckering amplitudes of 0.139 (2), 0.050 (1) and 0.112 (2) Å, respectively. The central pyran ring adopts a boat conformation. The crystal structure is stabilized by C—HO, N—HO, N—HF and C—Hπ interactions.
O, N—HO, N—HF and C—Hπ interactions.organic compoundsOpen access
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In the title compound, C27H15NO6·0.5CHCl3, the central pyran ring and both the benzopyran systems are planar, with the dihedral angle between the outer rings being 3.24 (6)°. The indolin-2-one system is in a perpendicular configuration with respect to the pyran ring [dihedral angle = 87.58 (2)°]. Supramolecular layers in the ac plane are formed in the crystal structure whereby inversion-related molecules are connected by N—HO hydrogen bonds. These are further linked by C—HO interactions, forming a supramolecular layer in the ac plane. Disordered CHCl3 solvent in the structure was modelled with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155].
O hydrogen bonds. These are further linked by C—HO interactions, forming a supramolecular layer in the ac plane. Disordered CHCl3 solvent in the structure was modelled with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155].organic compoundsOpen access
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The piperidine ring in the title compound, C24H25NO3, adopts an envelope conformation with the N atom being the flap atom, and each C=C double bond exhibits an E conformation. In the crystal, C—HO hydrogen bonds link the molecules, forming supramolecular layers that stack along the a axis.
O hydrogen bonds link the molecules, forming supramolecular layers that stack along the a axis.
data reports
In the title molecular salt, one of the cations is doubly protonated and one is singly protonated with charge balance achieved by three sulfonate anions. The crystal structure features interionic N—HO and C—HO hydrogen bonds.
O and C—HO hydrogen bonds.organic compounds
In the title compound, C26H24N2S, the six- and seven-membered heterocyclic rings adopt half-chair and near-boat conformations, respectively. The molecular conformation is influenced by two weak intramolecular C—HN interactions. The crystal structure is stablized by intermolecular C—HN and C—Hπ interactions.
N interactions. The crystal structure is stablized by intermolecular C—HN and C—Hπ interactions.organic compounds
In the title compound, C39H30Cl2N2O2, the central six-membered piperidinone ring adopts a distorted half-chair conformation and the five-membered pyrrolidine ring is in a twist conformation. The crystal structure is stabilized by C—HO and C—Hπ interactions.
O and C—Hπ interactions.organic compoundsOpen access
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In the title compound, C42H33NO2, the six-membered cyclohexanone ring adopts a slightly distorted chair conformation and the five-membered pyrrolidine ring is in an envelope conformation. The molecular structure features four intramolecular C—HO interactions and an intramolecular C—Hπ interaction. Furthermore, the crystal packing is stabilized by an intermolecular C—HO and three intermolecular C—Hπ interactions.
O interactions and an intramolecular C—Hπ interaction. Furthermore, the crystal packing is stabilized by an intermolecular C—HO and three intermolecular C—Hπ interactions.
research papers
A new sample cell assembly for the Paris-Edinburgh type large-volume press to measure Seebeck coefficients and the relative changes in the thermal conductivity and dimensionless figure of merit has been developed and its feasibility demonstrated. The measurements are performed on Bi and PbTe over a temperature range 300–450 K and pressures up to 5.5 GPa.
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The title compound, known as quafrinoic acid, is a pentacyclic triterpene isolated from Nauclea Pobeguinii. The compound is composed of five fused six-membered rings and the molecular conformation is stabilized by intramolecular C—HO interaction, forming S6 and S8 rings.
O interaction, forming S6 and S8 rings.organic compoundsOpen access
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In the title compound, C34H35N3O2, the polysubstituted piperidine ring adopts a chair conformation and the isoxazolidine ring is in an envelope form. The molecules are linked into a chain along the b axis by O—HN, C—HO and C—HN interactions. The chains are cross-linked via weak C—Hπ interactions.
N, C—HO and C—HN interactions. The chains are cross-linked via weak C—Hπ interactions.
research papers (organic compounds)
data reports
In the title organic salt complex, the cations are protonated at the pyridine N atoms and the anions are deprotonated at the hydroxyl O atoms. The crystal structure is formed by N—HO and weak C—HO hydrogen bonds, completed by π–π interactions.
O and weak C—HO hydrogen bonds, completed by π–π interactions.data reports
One of the phthalic acid carboxylic acid groups is deprotonated in the title salt. In the crystal, the anions are linked into an [001] chain by O—HO hydrogen bonds. The cations are linked to these chains by N—HO hydrogen bonds and weak C—HO contacts, generating a three-dimensional network.
O hydrogen bonds. The cations are linked to these chains by N—HO hydrogen bonds and weak C—HO contacts, generating a three-dimensional network.organic compounds
The title compound (systematic name: 7-furan-3-yl-6-hydroxy-4,4,8,10,13-pentamethyl-1,8,9,10,11,12,13,15,16,17-decahydro-2H,4H-20-oxacyclopropa[14,15]cyclopenta[a]phenanthrene-3,7-dione), C26H32O5, is a semi-synthetic derivative of cedrelone, a natural compound isolated from Toona ciliata. The orientation of the furan ring and the ring conformations are the same as for cedrelone itself, with the exception of ring A. Rings A, B, C and D adopt sofa, half-chair, twist and envelope conformations, respectively. The crystal structure involves intramolecular O—HO and intermolecular C—HO and O—HO hydrogen bonds. All the hydrogen bonds in the crystal structure contribute to the formation of a macrocyclic ring motif R44(28).
O and intermolecular C—HO and O—HO hydrogen bonds. All the hydrogen bonds in the crystal structure contribute to the formation of a macrocyclic ring motif R44(28).organic compounds
In the title compound, C18H15ClN2O3, the planes of the chlorophenyl and hydroxymethoxyphenyl groups are inclined at angles of 3.13 (8) and 38.80 (4)° with respect to the plane of the pyrazole ring. Intra- and intermolecular hydrogen bonding results in the formation of dimeric units; further interactions produce short ClCl intermolecular separations.
Cl intermolecular separations. 
CHEMISTRY | CRYSTENG
Co-crystals of the commercially available anticancer aromatase inhibitor exemestane (Ex) and guest co-former thiourea were synthesized and the difference in the biological properties of the co-crystal compared with Ex was investigated. To study the various intermolecular interactions and their contribution to the structure stability, Hirshfeld surface analysis was successfully employed, and thermal stability was evaluated by DSC and TGA.
short format (organic compounds)
