共查询到20条相似文献,搜索用时 31 毫秒
1.
Thanikasalam Kanagasabapathy Panchanatheswaran Krishnaswamy Jeyaraman Ramasubbu 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):o579-o582
rac‐5‐Diphenylacetyl‐2,2,4‐trimethyl‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine, C26H27NOS, (I), and rac‐5‐formyl‐2,2,4‐trimethyl‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine, C13H17NOS, (II), are both characterized by a planar configuration around the heterocyclic N atom. In contrast with the chair conformation of the parent benzothiazepine, which has no substituents at the heterocyclic N atom, the seven‐membered ring adopts a boat conformation in (I) and a conformation intermediate between boat and twist‐boat in (II). The molecules lack a symmetry plane, indicating distortions from the perfect boat or twist‐boat conformations. The supramolecular architectures are significantly different, depending in (I) on C—H...O interactions and intermolecular S...S contacts, and in (II) on a single aromatic π–π stacking interaction. 相似文献
2.
L. Govindasamy D. Velmurugan V. Raghukumar Il‐Hawn Suh V. T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):80-81
In the title compound, C29H30N6, the naphthyridine ring is almost planar with a dihedral angle of 5.4 (1)° between the pyridyl rings. The dihedral angles between the naphthyridine system and the diethylaminophenyl, phenyl and pyrrolidine rings are 53.1 (1), 19.8 (1) and 20.9 (1)°, respectively. The pyrrolidine ring adopts a half‐chair conformation. The molecule is stabilized by weak C—H?N interactions. 相似文献
3.
4.
A series of novel pyrazolyl‐substituted 1,3,4‐oxadiazole derivatives ( 4a‐4o ) were prepared by cyclization of the intermediate N′‐((3‐aryl‐l‐phenyl‐pyrazol‐4‐yl)methylene)arylhydrazide with acetic anhydride. The structures of the new compounds were confirmed by IR, 1H NMR, MS and elemental analysis. Furthermore, preliminary bioassay of some of the title compounds indicated that they exhibited moderate inhibition against HIV‐1 PR. 相似文献
5.
Svitlana V. Shishkina Irina S. Konovalova Pavlo V. Trostianko Anna O. Geleverya Sergiy M. Kovalenko Natalya D. Bunyatyan 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(11):1541-1553
This study of 3‐(5‐phenyl‐1,3,4‐oxadiazol‐2‐yl)‐2H‐chromen‐2‐one, C17H10N2O3, 1 , and 3‐[5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazol‐2‐yl]‐2H‐chromen‐2‐one, C16H9N3O3, 2 , was performed on the assumption of the potential anticancer activity of the compounds. Three polymorphic structures for 1 and two polymorphic structures for 2 have been studied thoroughly. The strongest intermolecular interaction is stacking of the `head‐to‐head' type in all the studied crystals. The polymorphic structures of 1 differ with respect to the intermolecular interactions between stacked columns. Two of the polymorphs have a columnar or double columnar type of crystal organization, while the third polymorphic structure can be classified as columnar‐layered. The difference between the two structures of 2 is less pronounced. Both crystals can be considered as having very similar arrangements of neighbouring columns. The formation of polymorphic modifications is caused by a subtle balance of very weak intermolecular interactions and packing differences can be identified only using an analysis based on a study of the pairwise interaction energies. 相似文献
6.
John N. Low Justo Cobo Manuel Nogueras Adolfo Snchez Jairo Quiroga Carlos Cisneros 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o38-o39
The supramolecular structure of the title compound, C18H17ClN2O2, is determined by the intersection of two chains formed by N—H⋯O and N—H⋯N hydrogen bonds, forming a two‐dimensional sheet. 相似文献
7.
K. Anand Solomon S. S. Rajan G. Gopalakrishnan V. Kashinath V. P. Santhana Krishnan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o40-o41
The title compound, C16H19BrO4, is a derivative of osthol, isolated from the seeds of Imperatoria Osthruthium. The structure was solved in space group P, with two molecules in the asymmetric unit, and was refined to a final R factor of 0.064. The two molecules in the asymmetric unit differ in the orientation of their brominated substituent group. The benzopyran ring displays aromatic character. The packing of the molecules in the lattice is mainly due to C—H⋯O hydrogen bonds. 相似文献
8.
The model morpholine‐1‐carbothioic acid (2‐phenyl‐3H‐quinazolin‐4‐ylidene) amide (1) reacts with phenacyl bromides to afford N4‐(5‐aryl‐1,3‐oxathiol‐2‐yliden)‐2‐phenylquinazolin‐4‐amines (4) or N4‐(4,5‐diphenyl‐1,3‐oxathiol‐2‐yliden)‐2‐phenyl‐4‐aminoquinazoline ( 5 ) by a thermodynamically controlled reversible reaction favoring the enolate intermediate, while the 4‐[4‐aryl‐5‐(2‐phenylquinazolin‐4‐yl)‐1,3‐thiazol‐2‐yl]morpholine ( 8 ) was produced by a kinetically controlled reaction favoring the C‐anion intermediate. 1H nmr, 13C nmr, ir, mass spectroscopy and x‐ray identified compounds ( 4 ), ( 5 ) and ( 8 ). 相似文献
9.
An Efficient Synthesis of 3‐(3‐benzyl‐2‐(phenylimino)‐2,3‐dihydrothiazol‐4‐yl)‐6‐methyl‐4‐(2‐oxo‐2‐phenylethoxy)‐3,4‐dihydro‐2H‐pyran‐2‐one Derivatives via Multi‐Component Approach 下载免费PDF全文
An easy, highly efficient and a new convenient one‐pot, two‐step approach to the synthesis of 3‐(3‐benzyl‐2‐(phenylimino)‐2,3‐dihydrothiazol‐4‐yl)‐6‐methyl‐4‐(2‐oxo‐2‐phenylethoxy)‐3,4‐dihydro‐2H‐pyran‐2‐one is described. These compounds were synthesized from 3‐(3‐benzyl‐2‐(phenylimino)‐2,3‐dihydrothiazol‐4‐yl)‐4‐hydroxy‐6‐methyl‐3,4‐dihydro‐2H‐pyran‐2‐one and α‐bromoketones in good yields. The compounds 4 were synthesized by a multi‐component reaction between 1 , 2 , and 3 and the prominent features of this protocol are mild reaction conditions, operation simplicity, and good to high yields of products. 相似文献
10.
amil Ik Sema
ztürk Hoong‐Kun Fun Erbil Agar Selami amaz 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):95-96
The structure of the title compound, 4‐allyl‐2‐methoxy‐6‐[(4‐nitrophenyl)diazenyl]phenyl benzoate, C23H19N3O5, displays the characteristic features of azobenzene derivatives. The azobenzene moiety of the molecule has a trans configuration and in this moiety, average C—N and N=N bond lengths are 1.441 (3) and 1.241 (3) Å, respectively. 相似文献
11.
R. Sankaranarayanan D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):726-727
In the title compound, C29H30N6O, the naphthyridine moiety is planar with a dihedral angle between the fused rings of 1.9 (1)°. The phenol ring is nearly coplanar, while the diethylaminophenyl substituent is orthogonal to the central naphthyridine ring and the pyrrolidine ring makes an angle of 11.2 (1)° with it. The O atom of the hydroxy substituent is coplanar with the phenyl ring to which it is attached. The molecular structure is stabilized by a C—H?N‐type intramolecular hydrogen bond and the packing is stabilized by intermolecular C—H?π, O—H?N and N—H?O hydrogen bonds. 相似文献
12.
S. Thamotharan V. Parthasarathi Ranju Gupta D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o161-o162
In the title compound, C23H31N3O3, the outer cyclohexane rings have chair conformations, while the central cyclohexene ring adopts a half‐chair conformation. In the solid state, intra‐ and intermolecular C—H⋯N interactions are observed. 相似文献
13.
Anwar Usman Ibrahim Abdul Razak Suchada Chantrapromma Hoong‐Kun Fun Tarun K. Sarkar Sankar Basak Gur Dayal Nigam 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1116-1117
In the title compound, C16H19ClN2O4, the pyridine ring is nearly planar, the piperidine ring is non‐planar and the cyclohexane ring adopts a screw‐boat conformation. The carboxylate group makes a dihedral angle of 80.9 (2)° with the least‐squares plane through the cyclohexane ring. 相似文献
14.
Rahime imek Anthony Linden Cihat afak 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):351-353
The title compound, C19H18BrNO3, has potential calcium modulatory properties. The 1,4‐dihydropyridine ring has a very shallow boat conformation and is one of the most planar examples of this moiety. The 2‐bromophenyl substituent is in the axial synperiplanar orientation. The quinoline ring has a half‐chair conformation, with the unusual arrangement of the out‐of‐plane atom being on the opposite side of the ring plane to the bromophenyl substituent. The molecules are linked into chains by intermolecular hydrogen bonds. 相似文献
15.
Laura H. Strauss Victoria V. Abzianidze Valentina M. Berestovitskaya Irina E. Efremova 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o177-o178
The title compound, C5H6BrNO4S, crystallizes in the centrosymmetric space group P21/c. Three weak C—H⃛O hydrogen bonds dominate the packing of the molecules in the solid. These weak hydrogen bonds and a short intermolecular O⃛Br contact of 3.003 (2) Å are discussed using a Mulliken population analysis. 相似文献
16.
Xiao‐Chun Han Xue‐Yu Xu Xiao‐Lu Li Yong‐Mei Wang Teruo Matsuura Ji‐Ben Meng 《中国化学》2001,19(4):398-403
A new kind of UV stabilizers, 1‐(3′‐(benzotriazol‐2″‐yl)‐4′‐hydroxy‐benzoyl)‐3‐methyl‐5‐pyrazolones (1a‐d), was synthesized with the aim to bind them chemically to certain polymers. The reaction of 1d with substituted benzaldehydes 4 in the molten state at 150°C and in the solid state at room temperature produced the condensation products l‐(3′‐(5″‐chlorobenzotriazol‐2″‐yl)‐4′‐hydroxyl‐5′‐chlorobenzoyl)‐3‐methyl‐4‐arylmethylene‐5‐pyrazolones (2) and 4,4′‐arylmethylene‐bis [1‐(3′‐(5″‐chloro‐benzotriazol‐2″‐yl)‐4′‐hydroxy‐5′‐chloro‐benzoyl)‐3‐methyl‐5‐pyrazolone] s (3), respectively, as the major product. On the other hand, the reaction of 1d with 4 at 50°C in chloroform solution proceeded non‐selectively to give a mixture of 2 and 3. 相似文献
17.
Urmila H. Patel Chaitanya G. Dave Mukesh M. Jotani Hetal C. Shah 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o191-o192
The crystal structure of the title compound, C20H18N2O, reveals a distorted half‐chair conformation of the central tetrahydropyridine (THP) ring, with the cyano‐ and adjacent phenyl‐substituted C atoms displaced by 0.329 (1) and ?0.315 (1) Å, respectively, from the THP best plane. Steric interactions force the phenyl rings out of the THP plane by 49.21 (9) and 65.76 (5)°. The cyano moiety is coplanar with the THP plane. 相似文献
18.
Jayanta Kumar Ray Pranab Haldar M. Canle L. J. A. Santaballa Jose Mahía 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o163-o165
The title compounds, C20H20FNO6 and C20H19Cl2NO6, respectively, may exhibit bioactivity. In these compounds, the pyrrolidine ring adopts a conformation intermediate between envelope and half‐chair. Only one of the two ethoxycarbonyl side chains is nearly planar. Centrosymmetric pairs are formed, and the crystal structure is stabilized by weak C—H⋯O hydrogen bonds and van der Waals interactions. 相似文献
19.
Clair Bilton Judith A. K. Howard N. N. Laxmi Madhavi Gautam R. Desiraju Frank H. Allen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1356-1358
The title compounds, C8H10O2, (I), and C12H14O2, (II), occurred as by‐products in the controlled synthesis of a series of bis(gem‐alkynols), prepared as part of an extensive study of synthon formation in simple gem‐alkynol derivatives. The two 4‐(gem‐alkynol)‐1‐ones crystallize in space group P21/c, (I) with Z′ = 1 and (II) with Z′ = 2. Both structures are dominated by O—H?O=C hydrogen bonds, which form simple chains in the cyclohexane derivative, (I), and centrosymmetric dimers, of both symmetry‐independent molecules, in the cyclohexa‐2,5‐diene, (II). These strong synthons are further stabilized by C[triple‐bond]C—H?O=C, Cmethylene—H?O(H) and Cmethyl—H?O(H) interactions. The direct intermolecular interactions between donors and acceptors in the gem‐alkynol group, which characterize the bis(gem‐alkynol) analogues of (I) and (II), are not present in the ketone derivatives studied here. 相似文献
20.
Mihaela Pop Gheorghe Borodi Kees Goubitz Ren Peschar Jan Fraanje Ioan Fenesan Henk Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o280-o281
The title compound, C11H17N2O3PS2, is a cyclic thiophosphoryl pyrimidine derivative exhibiting insecticidal properties. The crystal structure determination gives evidence for the presence of the thione isomer of the compound. The pyrimidine nucleus is planar and its substituents have small deviations from the least‐squares plane. The dioxaphosphorinane ring adopts a chair conformation. The lack of classical hydrogen bonds and the weak intermolecular interactions lead to a `loose' packing characterized by channels in the structure. 相似文献