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Table 2 Atomic coordinates (Å × 10 4 ) and equivalent isotropic displacement parameters (Å 2 × 10 3 ) for 5-Methoxy-5,6-diphenyl-4,5-dihydro-2 H -1,2,4-triazine-3-thione

From: Synthesis, solvatochromism and crystal structure of 5-Methoxy-5,6-diphenyl-4,5-dihydro-2H −1,2,4-triazine-3-thione

  X Y Z U(eq)
C(1) −696(15) 3792(16) 7896(9) 22 (3)
C(2) −1824(14) 2391(16) 8841(8) 21 (3)
C(4) 447(17) 1973(2) 9603(12) 35 (4)
C(5) −3268(14) 1621(17) 8654(9) 22 (3)
C(6) −3661(16) 440(18) 9104(10) 28(4)
C(7) −5008(17) −187(2) 8934(11) 34 (4)
C(8) −5965(17) 366(2) 8323(11) 34 (4)
C(9) −5577(18) 1524(2) 7869(11) 35 (4)
C(10) −4230(17) 2147(19) 8036(10) 29 (4)
C(11) −1928(14) 4053(17) 9152(9) 21 (3)
C(12) −2516(14) 4336(18) 9839(9) 23 (3)
C(13) −2303(16) 3307(2) 10454(9) 28 (4)
C(14) −2771(18) 3707(2) 11109(10) 32 (4)
C(15) −3463(17) 5101(2) 11161(10) 34 (4)
C(16) −3700(17) 6122(2) 10550(11) 32 (4)
C(17) −3235(15) 5741(19) 9895(10) 27 (3)
N(1) −1237(13) 2508(15) 8152(8) 24 (3)
N(2) −907(14) 5145(15) 8234(8) 27 (3)
N(3) −1504(13) 5298(14) 8857(8) 25 (3)
S(1) 161(4) 3790(4) 7165(2) 29 (17)
O(1) −959(10) 1409(12) 9364(6) 24 (3)
  1. U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.