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The mol­ecules of ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)­benzoate, C13H15N3O2, are linked by two independent N—H...O hydrogen bonds into a chain of edge-fused and alternating R42(8) and R22(20) rings. A combination of N—H...N and N—H...O hydrogen bonds links the mol­ecules of methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate, C15H19N3O2, into sheets of alternating R22(20) and R66(32) rings. In 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate, C11H11N3O2·H2O, the mol­ecular components are linked into a three-dimensional framework structure by a combination of five independent hydrogen bonds, two of O—H...N type and one each of O—H...O, N—H...O and N—H...N types.

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The bond distances in the title compound, C11H16N4, provide evidence for peripheral delocalization of [pi] electrons. The mol­ecules are linked by two independent N-H...N hydrogen bonds into a three-dimensional framework structure.

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The mol­ecules of 3-tert-butyl-5-[(4-methoxy­benz­yl)amino]-1-phenyl-1H-pyrazole, C21H25N3O, are linked into simple C(9) chains by a single C—H...N hydrogen bond. 5-[(Benzotriazol-1-ylmeth­yl)(4-methoxy­benz­yl)amino]-3-tert-butyl-1-phenyl-1H-pyrazole, C28H30N6O, crystallizes with Z′ = 2 in the space group P21/c. The mol­ecules are weakly linked into centrosymmetric tetra­molecular aggregates by a combination of C—H...N and C—H...O hydrogen bonds.

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Mol­ecules of methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitro­benzoate, C12H12N4O4, (I), exhibit a polarized (charge-separated) structure in the nitro­aniline portion. The mol­ecules are linked into chains of edge-fused R22(16) and R22(22) rings by a combination of N-H...O(carbon­yl) and C-H...O(nitro) hydrogen bonds. Methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxyl­ate, C13H12N4O2, (II), which is readily formed from (I) by reduction followed by ring formation, crystallizes with Z' = 2 in the space group P\overline{1}. Each of the two independent mol­ecular types is linked into sheets of R44(28) rings by a combination of N-H...N and C-H...O(carbon­yl) hydrogen bonds.

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The title compound, C15H12N2O3, crystallizes with Z' = 2 in the space group P\overline{1} and the intra­molecular dimensions show evidence for a polarized mol­ecular-electronic structure. Each of the two independent types of mol­ecule forms its own hydrogen-bonded supra­molecular substructure, and these are entirely different from one another: one type of mol­ecule forms a chain of edge-fused rings, while the other type forms sheets.

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Both 6-(1H-indol-3-yl)-3-methyl-4-(4-methyl­phen­yl)-1-phen­yl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile and 6-(1H-indol-3-yl)-3-methyl-4-(4-methoxy­phen­yl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile crystallize from dimethyl­formamide solutions as stoichiometric 1:1 solvates, viz. C29H21N5·C3H7NO, (I), and C29H21N5O·C3H7NO, (II), respectively; however, 6-(1H-indol-3-yl)-3-methyl-1-phenyl-4-(3,4,5-trimethoxy­phen­yl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile, C31H25N5O3, (III), crystallizes in the unsolvated form. The heterocyclic components of (I) are linked by C—H...π(arene) hydrogen bonds to form cyclic centrosymmetric dimers, from which the solvent mol­ecules are pendent, linked by N—H...O hydrogen bonds. In (II), the heterocyclic components are linked by a combination of C—H...N and C—H...π(arene) hydrogen bonds into chains containing two types of centrosymmetric ring, and the pendent solvent mol­ecules are linked to these chains by N—H...O hydrogen bonds. Mol­ecules of (III) are linked into simple C(12) chains by an N—H...O hydrogen bond, and these chains are weakly linked into pairs by an aromatic π–π stacking inter­action.

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In the title compound, C13H10O4, prepared by the condensation reaction between phthalic anhydride and pentane-2,4-dione, one of the acetyl groups in the pentane-2,4-dione fragment is almost coplanar with the isobenzofuran ring system, while the other group is twisted out of this plane by almost 80°. The corresponding C-C and C-O distances in the two acetyl units are consistent with dipolar delocalization into the coplanar unit only. There is no supra­molecular aggregation of the mol­ecules, but a number of rather short inter­molecular contacts of C-H...O, O...O and O...C types occur.

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In both 2,5-dimethyl-6,7-dihydro­benzo[h]pyrazolo[1,5-a]­quinazoline, C16H15N3, (I), and 2-tert-butyl-5-methyl-6,7-dihydro­benzo[h]pyrazolo[1,5-a]quinazoline, C19H21N3, (II), which crystallizes with Z' = 2 in the space group P\overline{1}, the non-aromatic carbocyclic rings adopt screw-boat conformations. The mol­ecules of (I) are linked into chains of rings by a combination of C-H...N and C-H...[pi](arene) hydrogen bonds, while in (II) there are no hydrogen bonds of any kind.

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In the title compound, C10H19NO6, both rings adopt almost perfect chair conformations and their mutual orientation is influenced by an intra­molecular O—H...N hydrogen bond. The mol­ecules are linked by three independent O—H...O hydrogen bonds into sheets containing equal numbers of R22(10) and R44(24) rings.

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In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitro­benzo­ate, C17H14N4O4, the molecules are linked into complex sheets by a combination of N-H...N, N-H...O and C-H...O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]­benzo­ate, mol­ecules exhibit a polarized mol­ecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-H...O and C-H...O hydrogen bonds.

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The title compound, C30H26ClN3, crystallizes with Z' = 3 in the P\overline{1} space group. The three independent mol­ecules have very similar, although not identical, conformations, with almost perfect screw-boat forms adopted by the non-aromatic carbocyclic rings. Four independent C-H...[pi](arene) hydrogen bonds link the mol­ecules into centrosymmetric six-component aggregates.

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In the title compound, C8H12N+·C4H3O4, there is a short and almost linear but asymmetric O—H...O hydrogen bond in the anion. The ions are linked into C22(6) chains by two short and nearly linear N—H...O hydrogen bonds and the chains are further weakly linked into sheets by a single C—H...O hydrogen bond.

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The title compound [systematic name: 6-amino-5-formyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione monohydrate], C7H9N3O3·H2O, has been reexamined at 120 K. The improved precision of the intra­molecular dimensions provides evidence for a polarized mol­ecular–electronic structure, and the mol­ecular components are linked by one N—H...O and two O—H...O hydrogen bonds into two inter­woven three-dimensional frameworks, which are weakly linked by the longer component of a three-centre N—H...(O)2 hydrogen bond.

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The mol­ecules of 2-amino-4,6-bis­[N-methyl-N-(4-methyl­phenyl)amino]pyrimidine-5-carbaldehyde, C21H23N5O, (I), and 2-amino-4-(indolin-1-yl)-6-methoxy­pyrimidine-5-carbaldehyde, C14H14N4O2, (II), which crystallizes with Z' = 2 in the space group P\overline{1}, exhibit polarized electronic structures. Mol­ecules of (I) are linked by a combination of N-H...O, C-H...O and C-H...[pi](arene) hydrogen bonds into a three-dimensional framework structure, while those of (II) are linked into sheets by a combination of two N-H...O hydrogen bonds and one N-H...[pi](arene) hydrogen bond.

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The mol­ecular dimensions of both 2-amino-6-(N-methyl­anilino)pyrimidin-4(3H)-one, C11H12N4O, (I), and 2-amino-6-(N-methyl­anilino)-5-nitro­pyrimidin-4(3H)-one, C11H11N5O3, (II), are consistent with considerable polarization of the mol­ecular-electronic structures. The mol­ecules of (I) are linked into a three-dimensional framework by a combination of one N-H...N hydrogen bond, two independent N-H...O hydrogen bonds and one C-H...[pi](arene) hydrogen bond. The mol­ecules of (II) are linked into ribbons containing three types of edge-fused ring by the combination of two independent three-centre N-H...(O)2 hydrogen bonds.

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In the title compound, C23H24N4O3, the pyrimidine ring adopts an almost perfect boat conformation, and the bond distances provide evidence for some polarization of the mol­ecular-electronic structure. Two independent N-H...O hydrogen bonds link the mol­ecules into chains of edge-fused R24(8) and R22(20) rings.
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