STRUCTURES OF THE ISOMERIC TRIAZENE 1-OXIDES 3-(4-ETHOXYCARBONYLPHENYL)-1-METHYLTRIAZENE 1-OXIDE (1) AND 3-(2-ETHOXYCARBONYLPHENYL)-1-METHYLTRIAZENE 1-OXIDE (2)

被引：6

作者：

VAUGHAN, K

CAMERON, LM

CHRISTIE, S

ZAWOROTKO, MJ

机构：

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1992年 / 48卷

关键词：

D O I：

10.1107/S0108270192003329

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

3-(4-Ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1), C10H13N3O3, M(r) = 223.2, monoclinic, P2(1)/c, a = 5.5055 (13), b = 25.2007 (25), c = 8.1241 (19) angstrom, beta = 100.434 (I 1)-degrees, V = 1108.5 angstrom3, Z = 4, D(x) = 1.34 g cm-3, lambda(Mo Kalpha) = 0.70926 angstrom, mu = 0.9 cm-1, F(000) = 472, T = 290K, R = 0.044 for 1080 unique observed reflections. 3-(2-Ethoxycarbonylphenyl)-l-methyltriazene I-oxide (2), C10H13N3O3, M(r) = 223.2, monoclinic, P2(1)/c, a = 12.963(9), b = 8.1716(8), c = 11.212(7) angstrom, beta = 110.85 (3)-degrees, V = 1109.9 angstrom, Z = 4, D(x) = 1.34 g cm-3, lambda(Mo Kalpha) = 0.70926 angstrom, mu = 0.9 cm-1, F(000) = 472, T = 290 K, R = 0.070 for 1192 unique observed reflections. Both structures adopt the N-oxide tautomeric form which is in agreement with spectroscopic evidence and previously reported crystal structures of 3-(4-carbamoylphenyl)triazene 1-oxides.

引用

页码：1985 / 1988

页数：4

共 15 条

[1]

CAMERON LM, 1992, IN PRESS CAN J CHEM

[2] NRCVAX - AN INTERACTIVE PROGRAM SYSTEM FOR STRUCTURE-ANALYSIS [J].

GABE, EJ ;

LEPAGE, Y ;

CHARLAND, JP ;

LEE, FL ;

WHITE, PS .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1989, 22 :384-387

[3] THE STRUCTURE OF ARYLDIALKYLTRIAZENE N-OXIDES [J].

GIUMANINI, AG ;

LASSIANI, L ;

NISI, C ;

PETRIC, A ;

STANOVNIK, B .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1983, 56 (06) :1887-1888

[4]

Hamilton W. C., 1968, HYDROGEN BONDING SOL

[5] C-13 AND H-1 NUCLEAR MAGNETIC-RESONANCE STUDY OF SOLVENT EFFECTS ON TAUTOMERISM IN 1-ARYL-3-METHYLTRIAZENES [J].

HOOPER, DL ;

VAUGHAN, K .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1981, (08) :1161-1165

[6]

Joesten M. D., 1974, HYDROGEN BONDING

[7]

JOHNSON CK, 1965, ORNL3794 REP

[8] 3-(4-CARBAMOYLPHENYL)-1-METHYLTRIAZENE 1-OXIDE [J].

KURODA, R ;

WILMAN, DEV .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1985, 41 (OCT) :1543-1545

[9]

Miesel L. J., 1976, US Patent, Patent No. 3962434

[10]

MITSUHASHI T, 1965, TETRAHEDRON LETT, V30, P2593

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