Top PDF 4 Chloro 1 iodo 2 nitro­benzene

4 Chloro 1 iodo 2 nitro­benzene

4 Chloro 1 iodo 2 nitro­benzene

In (I), the iodo and chloro moiety is in plane with the benzene ring. The nitro group is disordered over two sites with nearly equal occupancy ratio of 0.506 (6):0.494 (6). The behaviour of nitro groups is very different from each other. The distance between the symmetry related O-atoms of nitro groups have nearly equal value of 2.110 (9) Å. One group [O1B···O2B ( x - 1, y , z )] interact in trans form while the other [O2A···O2A (- x , - y , - z )] remains in cis form. The dihedral angle between the benzene ring and two nitro groups is 29.03 (23)° and 51.03 (31)°, respectively. The dihedral angle between the disordered nitro groups is 79.76 (37)°. There does not exist any classical H-bond or any kind of π -interaction. S2. Experimental
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3,5 Lutidinium–2 chloro 4 nitro­benzoate–2 chloro 4 nitro­benzoic acid (1/1/1)

3,5 Lutidinium–2 chloro 4 nitro­benzoate–2 chloro 4 nitro­benzoic acid (1/1/1)

The title compound, (I), was investigated as part of a study on DÐH A hydrogen bonding (D = N, O or C; A = N, O or Cl) in chloro- and nitro-substituted benzoic acid±amine systems (Ishida et al., 2001a,b,c,d,e, 2002a,b,c). These systems are of interest in crystal engineering for the formation of chiral two- component molecular crystals (Koshima et al., 1996; Ishida et al., 2001b,e; Sugiyama et al., 2002a,b). Furthermore, the systems are interesting candidates for a 35 Cl NQR relaxation

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4 Nitro 1 [(tri­methyl­sil­yl)ethyn­yl]benzene: low temperature polymorph at 100 K†

4 Nitro 1 [(tri­methyl­sil­yl)ethyn­yl]benzene: low temperature polymorph at 100 K†

Other geometrical parameters in the two polymorphs are similar, for example [those at 298 K are in parentheses] : C1≡C2 = 1.209 (2) [1.199 (4)] Å, Si1—C1 = 1.845 (2) [1.839 (3)] Å, Si1—C9 = 1.856 (2) [1.831 (4)] Å, Si1—C10 = 1.853 (2) [1.838 (3)] Å, Si1—C10B = 1.856 (2)[1.838 (3)] Å, N1—O1 = 1.219 (2) [1.201 (4)] Å, N1—O2 = 1.221 (2) [1.175 (4)] Å, Si1—C1≡C2 = 176.1 (2) [177.9 (3)]°, C1≡C2—C3 = 175.9 (2) [178.0 (3)]°, O1—N1—O2 = 123.5 (2) [122.9 (3)]°.

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1 Methyl 4 nitro 2 (tri­chloro­acetyl)­pyrrole

1 Methyl 4 nitro 2 (tri­chloro­acetyl)­pyrrole

O2 0.0714 (16) 0.0900 (18) 0.0675 (15) 0.0037 (13) 0.0308 (13) 0.0150 (13) Cl1 0.0538 (5) 0.1008 (7) 0.0513 (5) −0.0077 (4) −0.0042 (4) −0.0021 (4) Cl2 0.0628 (5) 0.0948 (7) 0.0542 (5) −0.0062 (4) 0.0178 (4) 0.0103 (4) Cl3 0.0930 (7) 0.0576 (5) 0.0775 (6) 0.0200 (5) 0.0132 (5) −0.0045 (4) C3 0.0419 (14) 0.0399 (14) 0.0379 (14) 0.0022 (11) 0.0001 (11) 0.0022 (11) C4 0.0428 (15) 0.0405 (15) 0.0468 (16) 0.0038 (12) 0.0007 (12) 0.0009 (12) N2 0.0477 (15) 0.0505 (15) 0.0686 (18) 0.0073 (12) 0.0147 (13) 0.0145 (14) N1 0.0477 (13) 0.0400 (12) 0.0424 (12) 0.0035 (10) −0.0021 (10) 0.0005 (10) C2 0.0483 (16) 0.0423 (15) 0.0493 (17) 0.0006 (13) 0.0019 (13) 0.0024 (13) C5 0.0368 (14) 0.0433 (15) 0.0486 (16) 0.0065 (12) 0.0026 (12) 0.0117 (13) O1 0.0844 (16) 0.0751 (16) 0.0727 (15) −0.0386 (14) 0.0210 (13) −0.0142 (13) C1 0.0455 (16) 0.0566 (18) 0.0481 (17) −0.0007 (14) 0.0067 (13) 0.0046 (14) C6 0.0476 (16) 0.0489 (16) 0.0396 (15) 0.0094 (13) 0.0033 (12) 0.0049 (13) C7 0.076 (2) 0.0511 (18) 0.0573 (19) −0.0070 (16) −0.0014 (17) −0.0099 (14) O3 0.0916 (19) 0.0610 (15) 0.107 (2) −0.0274 (14) 0.0374 (16) −0.0118 (15)
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1,10 Phenanthrolinium 4 chloro 2 hy­droxy­benzoate–1,10 phenanthroline–4 chloro 2 hy­droxy­benzoic acid (1/1/1)

1,10 Phenanthrolinium 4 chloro 2 hy­droxy­benzoate–1,10 phenanthroline–4 chloro 2 hy­droxy­benzoic acid (1/1/1)

The crystal structure contains C—H···π interactions between Hphen and hcba and between phen and Hhcba (Fig. 1). H25···Cg1 = 2.64 Å, C25—H25···Cg1 = 174° and C25···Cg1 = 3.571 (2) Å (where Cg1 is the centroid of the C8-benzene ring); H40···Cg2 = 2.63 Å, C40—H40···Cg2 = 153° and C40···Cg2 = 3.489 (3) Å (where Cg2 is the centroid of the C1- benzene ring).

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But 2 enal 2,4 di­nitro­phenyl­hydrazone

But 2 enal 2,4 di­nitro­phenyl­hydrazone

one is twisted with respect to the benzene ring, making a dihedral angle of 5.7 (1) , whereas the other is nearly in the plane of the benzene ring, with a twist angle of only 0.7 (1) . This difference is related to the occurence of an intra- molecular N—H O hydrogen bond with the O atom of the less twisted nitro group. The NH group is also involved in a weak interaction with the same O atom of a symmetry-related molecule, thus forming a pseudo inversion dimer.

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Crystal structure of 4 chloro 2 nitro­benzoic acid with 4 hy­dr­oxy­quinoline: a disordered structure over two states of 4 chloro 2 nitro­benzoic acid–quinolin 4(1H) one (1/1) and 4 hy­dr­oxy­quinolinium 4 chloro 2 nitro­benzoate

Crystal structure of 4 chloro 2 nitro­benzoic acid with 4 hy­dr­oxy­quinoline: a disordered structure over two states of 4 chloro 2 nitro­benzoic acid–quinolin 4(1H) one (1/1) and 4 hy­dr­oxy­quinolinium 4 chloro 2 nitro­benzoate

A packing diagram of the title compound, showing hydrogen-bonded acid-base units stacked along the b axis via the – interactions (magenta dashed lines). The – interactions including the centroid of the C11–C16 ring of the base (Cg3) are omitted for clarity. The O H O and C— H O hydrogen bonds are indicated by green dashed lines. [Symmetry codes: (iv) x + 1

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1 Eth­­oxy 2 meth­­oxy 4 [2 (4 nitro­phen­yl)ethen­yl]benzene

1 Eth­­oxy 2 meth­­oxy 4 [2 (4 nitro­phen­yl)ethen­yl]benzene

4-Ethoxy 3-Methoxy 4-Nitrostilbene (4E3MONS) is a derivative material of stilebene.The material (4E3MONS) was synthesized by Witting reaction method. The material was prepared from the 4-ethoxy 3-methoxy benzaldehyde and di- ethyl p-nitrobenzyl phosphonate in the presence of sodium ethoxide catalyst. The steps involved during the chemical reactions are as follows: the calculated amount of diethyl p-nitrobenzyl phosphonate (0.01 mol %, 2.2304ml) and 4-eth- oxy 3-methoxy benzaldehyde (0.01 mol, 1.802 ml %) were added in the ethanol solution (35 ml). After the reaction process, the sodium ethoxide,which plays a role of catalyst, was added immediately the colour of the solution became red. Then the mixture was stirred for 12 hrs at ice cold temperature in ultracryostat which has stirrer rotation facility. After the stirring process completed, the orange colour 4E3MONS material was collected from the mixture by removing the ethanol (Tam et al., 1989). Then the 4E3MONS was purified by a successive recrystallization process.
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4 Amino 2 chloro 5 nitro 6 (propyl­amino)­pyrimidine

4 Amino 2 chloro 5 nitro 6 (propyl­amino)­pyrimidine

The crystal structure of (I) contains two independent mol- ecules in the asymmetric unit disposed across a pseudo-centre of symmetry (Fig. 1). Relevant bond lengths and angles are listed in Table 1. With the exception of the peripheral propylamine substituents, both molecules are essentially coplanar.

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1 Chloro 4 [2 (4 chloro­phen­yl)eth­yl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry

1 Chloro 4 [2 (4 chloro­phen­yl)eth­yl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry

packing of (I) features benzene-C—H (benzene) and Cl Cl contacts that lead to an open three-dimensional (3D) architecture that enables twofold 3D– 3D interpenetration. The presence of benzene-C—H (benzene) and Br Br contacts in the crystal of (II) consolidate the 3D architecture. The analysis of the calculated Hirshfeld surfaces confirm the influence of the benzene-C— H (benzene) and X X contacts on the molecular packing and show that, to a first approximation, H H, C H/H C and C X/X C contacts dominate the packing, each contributing about 30% to the overall surface in each of (I) and (II). The analysis also clearly differentiates between the A and B molecules of (I).
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3 Cyano­pyridine–2 chloro 4 nitro­benzoic acid (1/1)

3 Cyano­pyridine–2 chloro 4 nitro­benzoic acid (1/1)

acid (1/1) unit, (I) (Fig. 1). No other signi®cant hydrogen bonds are found. In the crystal structure (Fig. 2), the molecules are stacked in columns held together by three different ± stacking interactions, two of which are strong and the other weak. The interplanar and centroid±centroid separations between the pyridine rings related by an inversion center are 3.316 (2) and 3.786 (2) AÊ, respectively, and those between the benzene rings related by an inversion center are 3.851 (2) and

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1 Allyl 3 chloro 5 nitro 1H indazole

1 Allyl 3 chloro 5 nitro 1H indazole

C5 0.0388 (9) 0.0757 (13) 0.0500 (10) −0.0016 (9) −0.0047 (7) −0.0016 (9) C6 0.0458 (9) 0.0567 (11) 0.0498 (9) 0.0071 (8) −0.0024 (7) 0.0017 (8) C7 0.0428 (8) 0.0458 (9) 0.0398 (8) −0.0012 (7) −0.0008 (6) 0.0017 (7) C8 0.0678 (12) 0.0427 (10) 0.0679 (12) −0.0045 (8) −0.0037 (9) −0.0069 (8) C9 0.0795 (14) 0.0424 (11) 0.0778 (13) −0.0081 (10) −0.0029 (11) 0.0029 (10) C10 0.139 (3) 0.0582 (14) 0.127 (2) −0.0137 (14) −0.056 (2) 0.0176 (14) N1 0.0485 (8) 0.0440 (8) 0.0548 (8) −0.0036 (6) −0.0071 (6) 0.0020 (6) N2 0.0438 (8) 0.0544 (9) 0.0523 (8) −0.0044 (6) −0.0057 (6) 0.0045 (7) N3 0.0667 (11) 0.0798 (13) 0.0694 (11) −0.0279 (10) 0.0027 (9) −0.0118 (10) O1 0.0979 (12) 0.0673 (11) 0.1254 (15) −0.0298 (10) 0.0049 (11) −0.0242 (10) O2 0.0639 (10) 0.1174 (15) 0.1528 (18) −0.0334 (10) −0.0243 (10) −0.0240 (12) Cl1 0.0516 (3) 0.0709 (4) 0.0803 (4) 0.0142 (2) −0.0084 (2) 0.0080 (2)
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2 [1 Chloro 3 (2 methyl 5 nitro 1H imidazol 1 yl)propan 2 yloxycarbonyl]benzoic acid

2 [1 Chloro 3 (2 methyl 5 nitro 1H imidazol 1 yl)propan 2 yloxycarbonyl]benzoic acid

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

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4 Chloro 2 (4 chloro­phenyl) 1 formyl 1,2 di­hydro­quinoline

4 Chloro 2 (4 chloro­phenyl) 1 formyl 1,2 di­hydro­quinoline

(Nardelli, 1983); atoms N1 and C1 deviate from the plane containing the other four atoms constituting the ring by ÿ0.272 (3) and 0.317 (3) AÊ, respectively. The mean plane through the dihydropyridine ring makes a dihedral angle of 12.1 (1) with that through the fused benzene ring. The mean

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6 Chloro 3 pyridylmethyl 4 amino­benzoate benzene solvate

6 Chloro 3 pyridylmethyl 4 amino­benzoate benzene solvate

A mixture of 2-chloro-5-chloromethylpyridine (4.05 g, 25.0 mmol), anhydrous potassium carbonate (1.73 g, 12.5 mmol) and potassium p- aminobenzoate (4.38 g, 25.0 mmol) in acetonitrile (50 ml) was heated under reflux for 20 h and the resulting solid was removed by filtration. The filtrate was evaporated and was purified by recrystallization from benzene.

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1 Fluoro 4 [(E) 2 nitro­vin­yl]benzene

1 Fluoro 4 [(E) 2 nitro­vin­yl]benzene

1-Bromo-4-fluorobenzene (5.7 mmol), tetrabutylammoniumbromide (11.4 mmol), cesium carbonate (17.1 mmol) and palladium acetate (5.0 mmol) were taken in N,N-dimethylformamide (DMF) (20 mL) and stirred for 30 minutes. To this, nitroethene (8.5 mmol) was added and the reaction mixture was stirred at 353K for 14 h under nitrogen atmosphere. The confirmation of the reaction was confirmed by TLC. The organic layer was filtered and DMF was removed under vacuum. The crude product obtained was purified by column chromatography using petroleum ether and ethyl acetate (7:3) as eluent.

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2′ [1 (4 Chloro 2 hydroxyphenyl)ethyl­idene]benzene­sulfonohydrazide

2′ [1 (4 Chloro 2 hydroxyphenyl)ethyl­idene]benzene­sulfonohydrazide

Benzenesulfohydrazine (0.6 g, 4 mmol) and 4-chloro-2-hydroxy- acetophenone (0.6 g, 4 mmol) were dissolved in ethanol (50 ml). The reactants were heated under reflux for 1 h. The solvent was removed to give the product Schiff base, and pale-yellow plates of (I) were obtained on recrystallzation from ethanol.

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2 (4 Fluoro­phen­yl) 5 iodo 3 iso­propyl­sulfonyl 1 benzo­furan

2 (4 Fluoro­phen­yl) 5 iodo 3 iso­propyl­sulfonyl 1 benzo­furan

3-Chloroperoxybenzoic acid (77%, 381 mg, 1.7 mmol) was added in small portions to a stirred solution of 2-(4-fluoro- phenyl)-5-iodo-3-isopropylsulfanyl-1-benzofuran (330 mg, 0.8 mmol) in dichloromethane (50 mL) at 273 K. After being stirred at room temperature for 10h, the mixture was washed with saturated sodium bicarbonate solution, and the organic layer was separated, dried over magnesium sulfate, filtered and concentrated at reduced pressure. The residue was purified by column chromatography (benzene) to afford the title compound as a colorless solid [yield 72%, m.p. 422–423 K; Rf = 0.65 (benzene)]. Single crystals suitable for X-ray diffraction were prepared by slow evaporation of a solution of the title compound in acetone at room temperature.
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Synthesis and free radical homopolymerization of 2 chloro 4 nitro (phenyl) maleimide and thermal study

Synthesis and free radical homopolymerization of 2 chloro 4 nitro (phenyl) maleimide and thermal study

A solution of maleic anhydride (9.8g, 0.1mol) in 40 mL DMF was gradually added over a period of 10 minutes to a well-stirred solution of2 -chloro 4nitro aniline (17.3 g, 0.1 mol) in 40 mL DMF. The mixture was stirred for 7 hours at room temperature. The resulting solution was poured into a large amount of crushed ice to precipitate crude N-CNPMA. The solid white mass obtained is filtered and dried then recrystallized from ethanol to obtain pure N-CNPMA (80% yield M.P. 100°C).

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2 Chloro 1 (3 eth­­oxy 4 nitro­phen­­oxy) 4 (tri­fluoro­meth­yl)benzene

2 Chloro 1 (3 eth­­oxy 4 nitro­phen­­oxy) 4 (tri­fluoro­meth­yl)benzene

O1 0.0510 (11) 0.0743 (14) 0.0894 (16) −0.0214 (9) −0.0091 (10) 0.0263 (11) O2 0.0410 (10) 0.0514 (10) 0.0744 (13) 0.0006 (7) 0.0088 (8) 0.0030 (8) O3 0.061 (3) 0.062 (3) 0.064 (3) −0.023 (2) 0.020 (2) −0.008 (3) O4 0.099 (3) 0.0303 (18) 0.100 (3) −0.0005 (19) −0.008 (3) 0.0037 (19) O3′ 0.124 (6) 0.076 (4) 0.113 (6) −0.038 (4) 0.071 (5) −0.026 (4) O4′ 0.116 (4) 0.055 (3) 0.150 (5) 0.003 (3) 0.044 (4) −0.014 (3) N1 0.0663 (18) 0.0424 (13) 0.102 (2) −0.0043 (11) −0.0018 (16) 0.0004 (13) C1 0.0387 (13) 0.0578 (15) 0.0625 (16) −0.0065 (11) 0.0074 (11) −0.0003 (12) C2 0.0488 (15) 0.0525 (14) 0.0623 (17) −0.0043 (11) 0.0140 (12) −0.0023 (11) C3 0.0467 (15) 0.0558 (15) 0.079 (2) −0.0108 (12) 0.0133 (14) −0.0084 (14) C4 0.0483 (15) 0.0607 (16) 0.0704 (19) −0.0010 (12) 0.0048 (13) −0.0148 (14) C5 0.0623 (17) 0.0632 (16) 0.0573 (17) 0.0000 (13) 0.0043 (13) −0.0038 (13) C6 0.0495 (15) 0.0654 (16) 0.0631 (17) −0.0080 (12) 0.0124 (13) 0.0045 (13) C7 0.061 (2) 0.083 (2) 0.096 (3) −0.0119 (18) −0.0060 (19) −0.020 (2) C8 0.0454 (14) 0.0600 (15) 0.0510 (15) −0.0114 (11) −0.0012 (11) 0.0084 (11) C9 0.0471 (14) 0.0442 (12) 0.0517 (14) −0.0034 (10) 0.0014 (11) 0.0015 (10) C10 0.0406 (12) 0.0463 (12) 0.0407 (12) −0.0021 (9) 0.0018 (9) 0.0013 (9) C11 0.0493 (14) 0.0438 (12) 0.0511 (14) −0.0033 (10) 0.0003 (11) −0.0017 (10) C12 0.0516 (16) 0.0570 (15) 0.0702 (19) 0.0097 (13) 0.0009 (13) −0.0064 (13) C13 0.0400 (14) 0.0788 (19) 0.0646 (18) 0.0028 (13) 0.0061 (12) 0.0005 (14) C14 0.0524 (16) 0.0588 (16) 0.0706 (18) 0.0116 (12) 0.0077 (13) 0.0059 (13) C15 0.0539 (19) 0.092 (2) 0.119 (3) 0.0197 (17) 0.0171 (19) 0.018 (2)
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